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

# CRYSTAL DATA

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

data_VESTA_phase_1


_chemical_name_common                  ''
_cell_length_a                         33.84399
_cell_length_b                         5.62200
_cell_length_c                         5.66300
_cell_angle_alpha                      90
_cell_angle_beta                       90
_cell_angle_gamma                      90
_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
   Ir1        1.0     0.206800      0.248889      0.501835     Biso  1.000000 Ir
   Ir2        1.0     0.793200      0.751111      0.001835     Biso  1.000000 Ir
   Ir3        1.0     0.793200      0.248889      0.501835     Biso  1.000000 Ir
   Ir4        1.0     0.206800      0.751111      0.001835     Biso  1.000000 Ir
   Ir5        1.0     0.441525      0.250287      0.499521     Biso  1.000000 Ir
   Ir6        1.0     0.558475      0.749713      0.999521     Biso  1.000000 Ir
   Ir7        1.0     0.558475      0.250287      0.499521     Biso  1.000000 Ir
   Ir8        1.0     0.441525      0.749713      0.999521     Biso  1.000000 Ir
   Ir9        1.0     0.675378      0.249717      0.499602     Biso  1.000000 Ir
   Ir10       1.0     0.324622      0.750283      0.999602     Biso  1.000000 Ir
   Ir11       1.0     0.324622      0.249717      0.499602     Biso  1.000000 Ir
   Ir12       1.0     0.675378      0.750283      0.999602     Biso  1.000000 Ir
   O1         1.0     0.147459      0.292290      0.512689     Biso  1.000000 O
   O2         1.0     0.852541      0.707710      0.012688     Biso  1.000000 O
   O3         1.0     0.852541      0.292290      0.512689     Biso  1.000000 O
   O4         1.0     0.147459      0.707710      0.012688     Biso  1.000000 O
   O5         1.0     0.382905      0.330399      0.524410     Biso  1.000000 O
   O6         1.0     0.617095      0.669601      0.024410     Biso  1.000000 O
   O7         1.0     0.617095      0.330399      0.524410     Biso  1.000000 O
   O8         1.0     0.382905      0.669601      0.024410     Biso  1.000000 O
   O9         1.0     0.500000      0.168715      0.474329     Biso  1.000000 O
   O10        1.0     0.500000      0.831285      0.974329     Biso  1.000000 O
   O11        1.0     0.733803      0.177037      0.479666     Biso  1.000000 O
   O12        1.0     0.266197      0.822963      0.979666     Biso  1.000000 O
   O13        1.0     0.266197      0.177037      0.479666     Biso  1.000000 O
   O14        1.0     0.733803      0.822963      0.979666     Biso  1.000000 O
   O15        1.0     0.314747      0.456633      0.792998     Biso  1.000000 O
   O16        1.0     0.685253      0.543367      0.292998     Biso  1.000000 O
   O17        1.0     0.685253      0.456633      0.792998     Biso  1.000000 O
   O18        1.0     0.314747      0.543367      0.292998     Biso  1.000000 O
   O19        1.0     0.213384      0.446030      0.805722     Biso  1.000000 O
   O20        1.0     0.786616      0.553970      0.305722     Biso  1.000000 O
   O21        1.0     0.786616      0.446030      0.805722     Biso  1.000000 O
   O22        1.0     0.213384      0.553970      0.305722     Biso  1.000000 O
   O23        1.0     0.431809      0.041628      0.207752     Biso  1.000000 O
   O24        1.0     0.568191      0.958372      0.707752     Biso  1.000000 O
   O25        1.0     0.568191      0.041628      0.207752     Biso  1.000000 O
   O26        1.0     0.431809      0.958372      0.707752     Biso  1.000000 O
   O27        1.0     0.451226      0.458529      0.791254     Biso  1.000000 O
   O28        1.0     0.548774      0.541471      0.291254     Biso  1.000000 O
   O29        1.0     0.548774      0.458529      0.791254     Biso  1.000000 O
   O30        1.0     0.451226      0.541471      0.291254     Biso  1.000000 O
   O31        1.0     0.666019      0.043951      0.205780     Biso  1.000000 O
   O32        1.0     0.333981      0.956049      0.705780     Biso  1.000000 O
   O33        1.0     0.333981      0.043951      0.205780     Biso  1.000000 O
   O34        1.0     0.666019      0.956049      0.705780     Biso  1.000000 O
   O35        1.0     0.198788      0.051220      0.201184     Biso  1.000000 O
   O36        1.0     0.801212      0.948780      0.701184     Biso  1.000000 O
   O37        1.0     0.801212      0.051220      0.201184     Biso  1.000000 O
   O38        1.0     0.198788      0.948780      0.701184     Biso  1.000000 O
   Sr1        1.0     0.152530      0.262252      0.961283     Biso  1.000000 Sr
   Sr2        1.0     0.847470      0.737748      0.461283     Biso  1.000000 Sr
   Sr3        1.0     0.847470      0.262252      0.961283     Biso  1.000000 Sr
   Sr4        1.0     0.152530      0.737748      0.461283     Biso  1.000000 Sr
   Sr5        1.0     0.383007      0.242506      0.958920     Biso  1.000000 Sr
   Sr6        1.0     0.616993      0.757494      0.458920     Biso  1.000000 Sr
   Sr7        1.0     0.616993      0.242506      0.958920     Biso  1.000000 Sr
   Sr8        1.0     0.383007      0.757494      0.458920     Biso  1.000000 Sr
   Sr9        1.0     0.500000      0.258163      0.039938     Biso  1.000000 Sr
   Sr10       1.0     0.500000      0.741837      0.539938     Biso  1.000000 Sr
   Sr11       1.0     0.733945      0.255176      0.042290     Biso  1.000000 Sr
   Sr12       1.0     0.266055      0.744824      0.542290     Biso  1.000000 Sr
   Sr13       1.0     0.266055      0.255176      0.042290     Biso  1.000000 Sr
   Sr14       1.0     0.733945      0.744824      0.542290     Biso  1.000000 Sr
