data_[Pr12Bi4C4]
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 [Cmcm]
_cell_length_a [5.1046]
_cell_length_b [23.1338]
_cell_length_c [5.0285]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Pr3BiC]
_chemical_formula_sum '[Pr12 Bi4 C4]'
_cell_volume [593.8102]
_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
[
  Pr  Pr0  4  0.0000  0.0688  0.2500  1.0
  Pr  Pr1  4  0.0000  0.3172  0.7500  1.0
  Pr  Pr2  4  0.0000  0.4434  0.2500  1.0
  Bi  Bi3  4  0.0000  0.1704  0.7500  1.0
  C  C4  4  0.0000  0.4229  0.7500  1.0
]