data_[Pm12P6S4Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  P  2.1900  1.0000  0.5500
  S  2.5800  1.0000  0.8800
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.0452]
_cell_length_b [4.0989]
_cell_length_c [8.3117]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.9804]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pm6P3S2Br]
_chemical_formula_sum '[Pm12 P6 S4 Br2]'
_cell_volume [596.5682]
_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  4  0.0011  0.0000  0.7237  1
  Pm  Pm1  4  0.1653  0.5000  0.5883  1
  Pm  Pm2  4  0.1772  0.5000  0.0833  1
  P  P3  4  0.1634  0.0000  0.8333  1
  P  P4  2  0.0000  0.5000  0.5000  1
  S  S5  4  0.1661  0.0000  0.3308  1
  Br  Br6  2  0.0000  0.5000  0.0000  1
]