data_[Pm8Bi4S20]
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 [Cmcm]
_cell_length_a [5.4124]
_cell_length_b [13.9174]
_cell_length_c [13.3776]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Pm2BiS5]
_chemical_formula_sum '[Pm8 Bi4 S20]'
_cell_volume [1007.6807]
_cell_formula_units_Z [4]
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  8  0.0000  0.1566  0.5686  1
  Bi  Bi1  4  0.0000  0.1662  0.2500  1
  S  S2  8  0.0000  0.0402  0.1013  1
  S  S3  8  0.0000  0.2961  0.0855  1
  S  S4  4  0.0000  0.2702  0.7500  1
]