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

# CRYSTAL DATA

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

data_VESTA_phase_1


_pd_phase_name                         ''
_cell_length_a                         4.22500
_cell_length_b                         4.22500
_cell_length_c                         30.09800
_cell_angle_alpha                      90
_cell_angle_beta                       90
_cell_angle_gamma                      120
_symmetry_space_group_name_H-M         'R -3 m'
_symmetry_Int_Tables_number            166

loop_
_symmetry_equiv_pos_as_xyz
   'x, y, z'
   '-x, -y, -z'
   '-y, x-y, z'
   'y, -x+y, -z'
   '-x+y, -x, z'
   'x-y, x, -z'
   'y, x, -z'
   '-y, -x, z'
   'x-y, -y, -z'
   '-x+y, y, z'
   '-x, -x+y, -z'
   'x, x-y, z'
   'x+2/3, y+1/3, z+1/3'
   '-x+2/3, -y+1/3, -z+1/3'
   '-y+2/3, x-y+1/3, z+1/3'
   'y+2/3, -x+y+1/3, -z+1/3'
   '-x+y+2/3, -x+1/3, z+1/3'
   'x-y+2/3, x+1/3, -z+1/3'
   'y+2/3, x+1/3, -z+1/3'
   '-y+2/3, -x+1/3, z+1/3'
   'x-y+2/3, -y+1/3, -z+1/3'
   '-x+y+2/3, y+1/3, z+1/3'
   '-x+2/3, -x+y+1/3, -z+1/3'
   'x+2/3, x-y+1/3, z+1/3'
   'x+1/3, y+2/3, z+2/3'
   '-x+1/3, -y+2/3, -z+2/3'
   '-y+1/3, x-y+2/3, z+2/3'
   'y+1/3, -x+y+2/3, -z+2/3'
   '-x+y+1/3, -x+2/3, z+2/3'
   'x-y+1/3, x+2/3, -z+2/3'
   'y+1/3, x+2/3, -z+2/3'
   '-y+1/3, -x+2/3, z+2/3'
   'x-y+1/3, -y+2/3, -z+2/3'
   '-x+y+1/3, y+2/3, z+2/3'
   '-x+1/3, -x+y+2/3, -z+2/3'
   'x+1/3, x-y+2/3, z+2/3'

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_U_iso_or_equiv
   _atom_site_type_symbol
   Te2        0.5000  0.000000      0.000000      0.210500     Uiso  1.000000 Te
   Te1        0.5000  0.000000      0.000000      0.000000     Uiso  1.000000 Te
   Sb1        0.5000  0.000000      0.000000      0.399000     Uiso  1.000000 Sb
   Bi1        0.5000  0.000000      0.000000      0.399000     Uiso  1.000000 Bi
   Se1        0.5000  0.000000      0.000000      0.000000     Uiso  1.000000 Se
   Se2        0.5000  0.000000      0.000000      0.210500     Uiso  1.000000 Se
