data_[Th12In6C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  In  1.7800  1.5500  0.9400
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.4753]
_cell_length_b [8.6286]
_cell_length_c [11.9301]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.8975]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Th6In3C]
_chemical_formula_sum '[Th12 In6 C2]'
_cell_volume [589.1009]
_cell_formula_units_Z [2]
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  0.0801  0.0603  0.2260  1
  Th  Th1  4  0.1655  0.7295  0.0570  1
  Th  Th2  4  0.3876  0.1439  0.0438  1
  In  In3  4  0.3365  0.1014  0.7302  1
  In  In4  2  0.5000  0.0000  0.5000  1
  C  C5  2  0.0000  0.0000  0.0000  1
]