data_[Pr4Co4C8]
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 [Cc]
_cell_length_a [5.4122]
_cell_length_b [5.4158]
_cell_length_c [7.4216]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.9495]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [PrCoC2]
_chemical_formula_sum '[Pr4 Co4 C8]'
_cell_volume [212.8258]
_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  0.4415  0.0741  0.8078  1.0
  Co  Co1  4  0.4996  0.4287  0.5005  1.0
  C  C2  4  0.2710  0.3196  0.0800  1.0
  C  C3  4  0.4239  0.4239  0.2327  1.0
]