data_[Th4Bi4C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Bi  2.0200  1.6000  1.0350
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.6584]
_cell_length_b [4.0230]
_cell_length_c [11.7361]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7511]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ThBiC]
_chemical_formula_sum '[Th4 Bi4 C4]'
_cell_volume [306.6209]
_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  0.1629  0.0000  0.3561  1
  Bi  Bi1  4  0.2244  0.5000  0.1273  1
  C  C2  4  0.0456  0.5000  0.4514  1
]