data_[Pm4Bi2P1Se1]
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
  P  2.1900  1.0000  0.5500
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.5365]
_cell_length_b [4.3463]
_cell_length_c [7.6233]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1236]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Pm4Bi2PSe]
_chemical_formula_sum '[Pm4 Bi2 P1 Se1]'
_cell_volume [235.9280]
_cell_formula_units_Z [1]
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  0.2337  0.5000  0.2238  1
  Pm  Pm1  2  0.2483  0.0000  0.7718  1
  Bi  Bi2  1  0.0000  0.5000  0.5000  1
  Bi  Bi3  1  0.5000  0.0000  0.5000  1
  P  P4  1  0.0000  0.0000  0.0000  1
  Se  Se5  1  0.5000  0.5000  0.0000  1
]