data_[Pm12Bi12Sb4]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.0060]
_cell_length_b [12.3990]
_cell_length_c [8.6937]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.8820]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pm3Bi3Sb]
_chemical_formula_sum '[Pm12 Bi12 Sb4]'
_cell_volume [967.2699]
_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  0.1763  0.3359  0.3068  1
  Pm  Pm1  4  0.0615  0.0000  0.2370  1
  Bi  Bi2  4  0.0000  0.1693  0.5000  1
  Bi  Bi3  4  0.0000  0.2212  0.0000  1
  Bi  Bi4  4  0.0986  0.5000  0.6554  1
  Sb  Sb5  4  0.2452  0.5000  0.0440  1
]