data_[Pr12Bi6Sb2Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Bi  2.0200  1.6000  1.0350
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.8028]
_cell_length_b [13.5061]
_cell_length_c [7.8293]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3650]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6Bi3SbSe2]
_chemical_formula_sum '[Pr12 Bi6 Sb2 Se4]'
_cell_volume [778.4228]
_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
[
  Pr  Pr0  8  0.2487  0.1695  0.2394  1.0
  Pr  Pr1  4  0.2386  0.5000  0.2342  1.0
  Bi  Bi2  4  0.0000  0.1632  0.5000  1.0
  Bi  Bi3  2  0.0000  0.5000  0.5000  1.0
  Sb  Sb4  2  0.0000  0.0000  0.0000  1.0
  Se  Se5  4  0.0000  0.3329  0.0000  1.0
]