data_[Pm12Bi10Br2]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.8976]
_cell_length_b [13.6530]
_cell_length_c [7.8745]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4617]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pm6Bi5Br]
_chemical_formula_sum '[Pm12 Bi10 Br2]'
_cell_volume [800.5603]
_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  8  0.2445  0.3293  0.7460  1
  Pm  Pm1  4  0.2430  0.5000  0.2548  1
  Bi  Bi2  4  0.0000  0.1645  0.5000  1
  Bi  Bi3  4  0.0000  0.3329  0.0000  1
  Bi  Bi4  2  0.0000  0.5000  0.5000  1
  Br  Br5  2  0.0000  0.0000  0.0000  1
]