data_[Pm2Bi2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Bi  2.0200  1.6000  1.0350
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.9875]
_cell_length_b [4.0023]
_cell_length_c [7.9889]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.3891]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [PmBiS3]
_chemical_formula_sum '[Pm2 Bi2 S6]'
_cell_volume [255.3199]
_cell_formula_units_Z [2]
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
[
  Pm  Pm0  2  0.2205  0.7500  0.3813  1
  Bi  Bi1  2  0.3263  0.7500  0.8491  1
  S  S2  2  0.0199  0.7500  0.6763  1
  S  S3  2  0.3280  0.2500  0.1226  1
  S  S4  2  0.3952  0.2500  0.6184  1
]