data_[Th12Sn8C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Sn  1.9600  1.4500  0.8300
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.8564]
_cell_length_b [6.3381]
_cell_length_c [7.1250]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4635]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Th3Sn2C]
_chemical_formula_sum '[Th12 Sn8 C4]'
_cell_volume [655.0905]
_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  8  0.1217  0.0594  0.5944  1
  Th  Th1  4  0.0000  0.4488  0.2500  1
  Sn  Sn2  8  0.1864  0.4306  0.0562  1
  C  C3  4  0.0000  0.0651  0.2500  1
]