data_[Pm4Bi1As1S2]
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
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.2837]
_cell_length_b [4.2263]
_cell_length_c [7.3792]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5229]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Pm4BiAsS2]
_chemical_formula_sum '[Pm4 Bi1 As1 S2]'
_cell_volume [214.0939]
_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  0.2283  0.0000  0.7276  1
  Pm  Pm1  2  0.2401  0.5000  0.2600  1
  Bi  Bi2  1  0.5000  0.5000  0.0000  1
  As  As3  1  0.5000  0.0000  0.5000  1
  S  S4  1  0.0000  0.0000  0.0000  1
  S  S5  1  0.0000  0.5000  0.5000  1
]