data_[Pm16Bi4Se8]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2808]
_cell_length_b [13.7292]
_cell_length_c [14.1954]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Pm4BiSe2]
_chemical_formula_sum '[Pm16 Bi4 Se8]'
_cell_volume [834.2839]
_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  0.2316  0.6194  1
  Pm  Pm1  4  0.0000  0.0651  0.2500  1
  Pm  Pm2  4  0.0000  0.5000  0.0000  1
  Bi  Bi3  4  0.0000  0.3930  0.2500  1
  Se  Se4  8  0.0000  0.1349  0.0601  1
]