data_[Pr12Co20C8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Co  1.8800  1.3500  0.7683
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [8.2031]
_cell_length_b [15.0303]
_cell_length_c [5.4543]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Pr3Co5C2]
_chemical_formula_sum '[Pr12 Co20 C8]'
_cell_volume [672.4898]
_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  8  0.1746  0.3329  0.5000  1
  Pr  Pr1  4  0.0000  0.0000  0.2500  1
  Co  Co2  8  0.0000  0.1816  0.2500  1
  Co  Co3  8  0.1890  0.4338  0.0000  1
  Co  Co4  4  0.0000  0.5000  0.2500  1
  C  C5  8  0.1480  0.1486  0.5000  1
]