data_[Pr12Bi6Sb4Se2]
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 [19.8192]
_cell_length_b [4.5527]
_cell_length_c [9.1395]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2659]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6Bi3Sb2Se]
_chemical_formula_sum '[Pr12 Bi6 Sb4 Se2]'
_cell_volume [802.6683]
_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  4  0.0001  0.0000  0.2423  1.0
  Pr  Pr1  4  0.1622  0.5000  0.0851  1.0
  Pr  Pr2  4  0.1679  0.5000  0.5799  1.0
  Bi  Bi3  4  0.1680  0.0000  0.8349  1.0
  Bi  Bi4  2  0.0000  0.5000  0.5000  1.0
  Sb  Sb5  4  0.1655  0.0000  0.3316  1.0
  Se  Se6  2  0.0000  0.5000  0.0000  1.0
]