data_[Pr12Bi4C2]
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
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.6334]
_cell_length_b [8.3926]
_cell_length_c [12.0751]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.5771]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Pr6Bi2C]
_chemical_formula_sum '[Pr12 Bi4 C2]'
_cell_volume [572.7048]
_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  0.1316  0.1626  0.4627  1.0
  Pr  Pr1  4  0.3217  0.7153  0.4561  1.0
  Pr  Pr2  4  0.3602  0.0272  0.2538  1.0
  Bi  Bi3  4  0.1809  0.1027  0.7591  1.0
  C  C4  2  0.5000  0.0000  0.5000  1.0
]