data_[Th4Co12C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Co  1.8800  1.3500  0.7683
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.7019]
_cell_length_b [8.0402]
_cell_length_c [5.6012]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [ThCo3C]
_chemical_formula_sum '[Th4 Co12 C4]'
_cell_volume [256.7818]
_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
[
  Th  Th0  4  0.0000  0.2500  0.9737  1
  Co  Co1  8  0.2500  0.0168  0.2500  1
  Co  Co2  4  0.0000  0.2500  0.4677  1
  C  C3  4  0.0000  0.0000  0.5000  1
]