#======================================================================

# CRYSTAL DATA

#----------------------------------------------------------------------

data_VESTA_phase_1


_chemical_name_common                  'na88.03 p8 s96 sn16                   '
_cell_length_a                         13.75960
_cell_length_b                         13.75960
_cell_length_c                         27.46940
_cell_angle_alpha                      89.33787
_cell_angle_beta                       89.33787
_cell_angle_gamma                      90.53767
_space_group_name_H-M_alt              'P 1'
_space_group_IT_number                 1

loop_
_space_group_symop_operation_xyz
   'x, y, z'

loop_
   _atom_site_label
   _atom_site_occupancy
   _atom_site_fract_x
   _atom_site_fract_y
   _atom_site_fract_z
   _atom_site_adp_type
   _atom_site_B_iso_or_equiv
   _atom_site_type_symbol
   Sn1        1.0     0.224591      0.505916      0.248164     Biso  1.000000 Sn
   Sn2        1.0     0.780047      0.500847      0.748516     Biso  1.000000 Sn
   Sn3        1.0     0.279675      0.503053      0.747230     Biso  1.000000 Sn
   Sn4        1.0     0.727417      0.503833      0.247802     Biso  1.000000 Sn
   Sn5        1.0     0.753833      0.977417      0.497802     Biso  1.000000 Sn
   Sn6        1.0     0.253053      0.029675      0.497230     Biso  1.000000 Sn
   Sn7        1.0     0.750847      0.030048      0.998516     Biso  1.000000 Sn
   Sn8        1.0     0.255916      0.974591      0.998164     Biso  1.000000 Sn
   Sn9        1.0     0.724591      0.005916      0.748164     Biso  1.000000 Sn
   Sn10       1.0     0.280048      0.000847      0.248516     Biso  1.000000 Sn
   Sn11       1.0     0.779675      0.003053      0.247230     Biso  1.000000 Sn
   Sn12       1.0     0.227417      0.003833      0.747802     Biso  1.000000 Sn
   Sn13       1.0     0.253833      0.477417      0.997802     Biso  1.000000 Sn
   Sn14       1.0     0.753053      0.529675      0.997230     Biso  1.000000 Sn
   Sn15       1.0     0.250847      0.530048      0.498516     Biso  1.000000 Sn
   Sn16       1.0     0.755916      0.474591      0.498164     Biso  1.000000 Sn
   P1         1.0     0.503356      0.237933      0.125122     Biso  1.000000 P
   P2         1.0     0.500831      0.756805      0.875579     Biso  1.000000 P
   P3         1.0     0.003356      0.737933      0.625122     Biso  1.000000 P
   P4         1.0     0.000831      0.256805      0.375579     Biso  1.000000 P
   P5         1.0     0.987933      0.253356      0.875122     Biso  1.000000 P
   P6         1.0     0.006805      0.750831      0.125579     Biso  1.000000 P
   P7         1.0     0.487933      0.753356      0.375122     Biso  1.000000 P
   P8         1.0     0.506805      0.250831      0.625579     Biso  1.000000 P
   S1         1.0     0.409429      0.319060      0.166732     Biso  1.000000 S
   S2         1.0     0.597761      0.671823      0.836575     Biso  1.000000 S
   S3         1.0     0.094208      0.660343      0.669932     Biso  1.000000 S
   S4         1.0     0.910303      0.335222      0.330982     Biso  1.000000 S
   S5         1.0     0.917444      0.167762      0.419852     Biso  1.000000 S
   S6         1.0     0.088159      0.825374      0.579109     Biso  1.000000 S
   S7         1.0     0.580265      0.853052      0.917115     Biso  1.000000 S
   S8         1.0     0.423465      0.143416      0.083032     Biso  1.000000 S
   S9         1.0     0.075374      0.338159      0.829109     Biso  1.000000 S
   S10        1.0     0.917762      0.667444      0.169852     Biso  1.000000 S
   S11        1.0     0.393416      0.673465      0.333032     Biso  1.000000 S
   S12        1.0     0.603052      0.330265      0.667115     Biso  1.000000 S
   S13        1.0     0.585222      0.160303      0.580982     Biso  1.000000 S
   S14        1.0     0.410343      0.844208      0.419932     Biso  1.000000 S
   S15        1.0     0.921823      0.847761      0.086575     Biso  1.000000 S
   S16        1.0     0.069060      0.159429      0.916732     Biso  1.000000 S
   S17        1.0     0.909429      0.819060      0.666732     Biso  1.000000 S
   S18        1.0     0.097761      0.171823      0.336575     Biso  1.000000 S
   S19        1.0     0.594208      0.160343      0.169932     Biso  1.000000 S
   S20        1.0     0.410303      0.835222      0.830982     Biso  1.000000 S
   S21        1.0     0.417444      0.667762      0.919852     Biso  1.000000 S
   S22        1.0     0.588159      0.325374      0.079109     Biso  1.000000 S
   S23        1.0     0.080265      0.353052      0.417115     Biso  1.000000 S
   S24        1.0     0.923465      0.643416      0.583032     Biso  1.000000 S
   S25        1.0     0.575374      0.838159      0.329109     Biso  1.000000 S
   S26        1.0     0.417761      0.167444      0.669852     Biso  1.000000 S
   S27        1.0     0.893416      0.173465      0.833032     Biso  1.000000 S
   S28        1.0     0.103052      0.830265      0.167115     Biso  1.000000 S
   S29        1.0     0.085222      0.660303      0.080982     Biso  1.000000 S
   S30        1.0     0.910343      0.344208      0.919932     Biso  1.000000 S
   S31        1.0     0.421823      0.347761      0.586575     Biso  1.000000 S
   S32        1.0     0.569060      0.659429      0.416732     Biso  1.000000 S
   S33        1.0     0.131342      0.402394      0.195723     Biso  1.000000 S
   S34        1.0     0.877849      0.604616      0.799688     Biso  1.000000 S
   S35        1.0     0.379872      0.605494      0.694618     Biso  1.000000 S
   S36        1.0     0.621566      0.401469      0.298563     Biso  1.000000 S
   S37        1.0     0.862777      0.877940      0.450555     Biso  1.000000 S
   S38        1.0     0.155306      0.131440      0.549409     Biso  1.000000 S
   S39        1.0     0.644416      0.130890      0.949574     Biso  1.000000 S
   S40        1.0     0.355350      0.869197      0.048714     Biso  1.000000 S
   S41        1.0     0.381440      0.405306      0.799409     Biso  1.000000 S
   S42        1.0     0.627940      0.612777      0.200555     Biso  1.000000 S
   S43        1.0     0.119197      0.605350      0.298714     Biso  1.000000 S
   S44        1.0     0.880890      0.394416      0.699574     Biso  1.000000 S
   S45        1.0     0.651469      0.871566      0.548563     Biso  1.000000 S
   S46        1.0     0.355494      0.129872      0.444618     Biso  1.000000 S
   S47        1.0     0.854616      0.127849      0.049688     Biso  1.000000 S
   S48        1.0     0.152394      0.881342      0.945723     Biso  1.000000 S
   S49        1.0     0.631342      0.902394      0.695723     Biso  1.000000 S
   S50        1.0     0.377849      0.104616      0.299688     Biso  1.000000 S
   S51        1.0     0.879872      0.105494      0.194618     Biso  1.000000 S
   S52        1.0     0.121566      0.901469      0.798563     Biso  1.000000 S
   S53        1.0     0.362777      0.377940      0.950555     Biso  1.000000 S
   S54        1.0     0.655306      0.631440      0.049409     Biso  1.000000 S
   S55        1.0     0.144416      0.630890      0.449574     Biso  1.000000 S
   S56        1.0     0.855350      0.369197      0.548714     Biso  1.000000 S
   S57        1.0     0.881440      0.905306      0.299409     Biso  1.000000 S
   S58        1.0     0.127940      0.112777      0.700555     Biso  1.000000 S
   S59        1.0     0.619197      0.105350      0.798714     Biso  1.000000 S
   S60        1.0     0.380890      0.894416      0.199574     Biso  1.000000 S
   S61        1.0     0.151469      0.371566      0.048563     Biso  1.000000 S
   S62        1.0     0.855494      0.629872      0.944618     Biso  1.000000 S
   S63        1.0     0.354616      0.627849      0.549688     Biso  1.000000 S
   S64        1.0     0.652394      0.381342      0.445723     Biso  1.000000 S
   S65        1.0     0.325389      0.404170      0.299985     Biso  1.000000 S
   S66        1.0     0.680442      0.597386      0.694727     Biso  1.000000 S
   S67        1.0     0.178090      0.601541      0.799973     Biso  1.000000 S
   S68        1.0     0.821187      0.404665      0.192179     Biso  1.000000 S
   S69        1.0     0.845602      0.085572      0.548975     Biso  1.000000 S
   S70        1.0     0.146593      0.926794      0.449396     Biso  1.000000 S
   S71        1.0     0.657472      0.920066      0.051260     Biso  1.000000 S
   S72        1.0     0.356602      0.082350      0.948320     Biso  1.000000 S
   S73        1.0     0.176794      0.396593      0.699396     Biso  1.000000 S
   S74        1.0     0.835572      0.595602      0.298975     Biso  1.000000 S
   S75        1.0     0.332350      0.606602      0.198320     Biso  1.000000 S
   S76        1.0     0.670066      0.407472      0.801260     Biso  1.000000 S
   S77        1.0     0.654665      0.071187      0.442179     Biso  1.000000 S
   S78        1.0     0.351541      0.928090      0.549973     Biso  1.000000 S
   S79        1.0     0.847386      0.930442      0.944727     Biso  1.000000 S
   S80        1.0     0.154170      0.075389      0.049985     Biso  1.000000 S
   S81        1.0     0.825389      0.904170      0.799985     Biso  1.000000 S
   S82        1.0     0.180442      0.097386      0.194727     Biso  1.000000 S
   S83        1.0     0.678090      0.101541      0.299973     Biso  1.000000 S
   S84        1.0     0.321187      0.904665      0.692179     Biso  1.000000 S
   S85        1.0     0.345602      0.585572      0.048975     Biso  1.000000 S
   S86        1.0     0.646593      0.426794      0.949396     Biso  1.000000 S
   S87        1.0     0.157472      0.420066      0.551260     Biso  1.000000 S
   S88        1.0     0.856602      0.582350      0.448320     Biso  1.000000 S
   S89        1.0     0.676794      0.896593      0.199396     Biso  1.000000 S
   S90        1.0     0.335572      0.095602      0.798975     Biso  1.000000 S
   S91        1.0     0.832350      0.106602      0.698320     Biso  1.000000 S
   S92        1.0     0.170066      0.907472      0.301260     Biso  1.000000 S
   S93        1.0     0.154665      0.571187      0.942179     Biso  1.000000 S
   S94        1.0     0.851541      0.428090      0.049973     Biso  1.000000 S
   S95        1.0     0.347386      0.430442      0.444727     Biso  1.000000 S
   S96        1.0     0.654170      0.575389      0.549985     Biso  1.000000 S
   Na1        1.0     0.272326      0.471022      0.125337     Biso  1.000000 Na
   Na2        1.0     0.744651      0.530935      0.872976     Biso  1.000000 Na
   Na3        1.0     0.280935      0.494651      0.622976     Biso  1.000000 Na
   Na4        1.0     0.721022      0.522326      0.375337     Biso  1.000000 Na
   Na5        1.0     0.740271      0.947438      0.371695     Biso  1.000000 Na
   Na6        1.0     0.197438      0.990271      0.621695     Biso  1.000000 Na
   Na7        1.0     0.732931      0.022098      0.872997     Biso  1.000000 Na
   Na8        1.0     0.272098      0.982931      0.122997     Biso  1.000000 Na
   Na9        1.0     0.240271      0.447438      0.871695     Biso  1.000000 Na
   Na10       1.0     0.697438      0.490271      0.121695     Biso  1.000000 Na
   Na11       1.0     0.232931      0.522098      0.372997     Biso  1.000000 Na
   Na12       1.0     0.772098      0.482931      0.622997     Biso  1.000000 Na
   Na13       1.0     0.772326      0.971022      0.625337     Biso  1.000000 Na
   Na14       1.0     0.244651      0.030935      0.372976     Biso  1.000000 Na
   Na15       1.0     0.780935      0.994651      0.122976     Biso  1.000000 Na
   Na16       1.0     0.221022      0.022326      0.875337     Biso  1.000000 Na
   Na17       1.0     0.219565      0.254091      0.254161     Biso  1.000000 Na
   Na18       1.0     0.719565      0.754091      0.754161     Biso  1.000000 Na
   Na19       1.0     0.293189      0.751338      0.756260     Biso  1.000000 Na
   Na20       1.0     0.793189      0.251338      0.256260     Biso  1.000000 Na
   Na21       1.0     0.006220      0.982490      0.520846     Biso  1.000000 Na
   Na22       1.0     0.504014      0.988591      0.997273     Biso  1.000000 Na
   Na23       1.0     0.232490      0.256220      0.770846     Biso  1.000000 Na
   Na24       1.0     0.732490      0.756220      0.270846     Biso  1.000000 Na
   Na25       1.0     0.238591      0.754014      0.247273     Biso  1.000000 Na
   Na26       1.0     0.738591      0.254014      0.747273     Biso  1.000000 Na
   Na27       1.0     0.501338      0.043189      0.506260     Biso  1.000000 Na
   Na28       1.0     0.004091      0.969565      0.004161     Biso  1.000000 Na
   Na29       1.0     0.506220      0.482490      0.020846     Biso  1.000000 Na
   Na30       1.0     0.004014      0.488591      0.497273     Biso  1.000000 Na
   Na31       1.0     0.001338      0.543189      0.006260     Biso  1.000000 Na
   Na32       1.0     0.504091      0.469565      0.504161     Biso  1.000000 Na
   Na33       1.0     0.511975      0.241395      0.255803     Biso  1.000000 Na
   Na34       1.0     0.011975      0.741395      0.755803     Biso  1.000000 Na
   Na35       1.0     0.001552      0.240228      0.505293     Biso  1.000000 Na
   Na36       1.0     0.985217      0.735415      0.493833     Biso  1.000000 Na
   Na37       1.0     0.501552      0.740228      0.005293     Biso  1.000000 Na
   Na38       1.0     0.485217      0.235415      0.993833     Biso  1.000000 Na
   Na39       1.0     0.985415      0.235217      0.743833     Biso  1.000000 Na
   Na40       1.0     0.990228      0.751552      0.255293     Biso  1.000000 Na
   Na41       1.0     0.485415      0.735217      0.243833     Biso  1.000000 Na
   Na42       1.0     0.991395      0.261975      0.005803     Biso  1.000000 Na
   Na43       1.0     0.491395      0.761975      0.505803     Biso  1.000000 Na
   Na44       1.0     0.490228      0.251552      0.755293     Biso  1.000000 Na
   Na45       1.0     0.477185      0.478392      0.228650     Biso  1.000000 Na
   Na46       1.0     0.528109      0.542450      0.760318     Biso  1.000000 Na
   Na47       1.0     0.029349      0.491660      0.753881     Biso  1.000000 Na
   Na48       1.0     0.975852      0.469070      0.252828     Biso  1.000000 Na
   Na49       1.0     0.719070      0.225852      0.502828     Biso  1.000000 Na
   Na50       1.0     0.241660      0.779349      0.503881     Biso  1.000000 Na
   Na51       1.0     0.792450      0.778109      0.010318     Biso  1.000000 Na
   Na52       1.0     0.228392      0.227185      0.978650     Biso  1.000000 Na
   Na53       1.0     0.977185      0.978392      0.728650     Biso  1.000000 Na
   Na54       1.0     0.028109      0.042450      0.260318     Biso  1.000000 Na
   Na55       1.0     0.529349      0.991660      0.253881     Biso  1.000000 Na
   Na56       1.0     0.475852      0.969070      0.752828     Biso  1.000000 Na
   Na57       1.0     0.219070      0.725852      0.002828     Biso  1.000000 Na
   Na58       1.0     0.741660      0.279349      0.003881     Biso  1.000000 Na
   Na59       1.0     0.292450      0.278109      0.510318     Biso  1.000000 Na
   Na60       1.0     0.728392      0.727185      0.478650     Biso  1.000000 Na
   Na61       1.0     0.266461      0.726711      0.120958     Biso  1.000000 Na
   Na62       1.0     0.731565      0.276393      0.878292     Biso  1.000000 Na
   Na63       1.0     0.241252      0.242366      0.634878     Biso  1.000000 Na
   Na64       1.0     0.496331      0.017836      0.378665     Biso  1.000000 Na
   Na65       1.0     0.487775      0.990098      0.628986     Biso  1.000000 Na
   Na66       1.0     0.977475      0.992507      0.865599     Biso  1.000000 Na
   Na67       1.0     0.027230      0.011569      0.132479     Biso  1.000000 Na
   Na68       1.0     0.240098      0.737775      0.878986     Biso  1.000000 Na
   Na69       1.0     0.767836      0.246331      0.128665     Biso  1.000000 Na
   Na70       1.0     0.261569      0.277230      0.382479     Biso  1.000000 Na
   Na71       1.0     0.742507      0.727475      0.615599     Biso  1.000000 Na
   Na72       1.0     0.992366      0.991252      0.384878     Biso  1.000000 Na
   Na73       1.0     0.526393      0.981565      0.128292     Biso  1.000000 Na
   Na74       1.0     0.476711      0.016461      0.870958     Biso  1.000000 Na
   Na75       1.0     0.766461      0.226711      0.620958     Biso  1.000000 Na
   Na76       1.0     0.231565      0.776393      0.378292     Biso  1.000000 Na
   Na77       1.0     0.741252      0.742366      0.134878     Biso  1.000000 Na
   Na78       1.0     0.996331      0.517836      0.878665     Biso  1.000000 Na
   Na79       1.0     0.987775      0.490098      0.128986     Biso  1.000000 Na
   Na80       1.0     0.477475      0.492507      0.365599     Biso  1.000000 Na
   Na81       1.0     0.527230      0.511569      0.632479     Biso  1.000000 Na
   Na82       1.0     0.740098      0.237775      0.378986     Biso  1.000000 Na
   Na83       1.0     0.267836      0.746331      0.628665     Biso  1.000000 Na
   Na84       1.0     0.761569      0.777230      0.882479     Biso  1.000000 Na
   Na85       1.0     0.242507      0.227475      0.115599     Biso  1.000000 Na
   Na86       1.0     0.492366      0.491252      0.884878     Biso  1.000000 Na
   Na87       1.0     0.026393      0.481565      0.628292     Biso  1.000000 Na
   Na88       1.0     0.976711      0.516461      0.370958     Biso  1.000000 Na
