data_[Th12Co2Ir4S6]
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
  Ir  2.2000  1.3500  0.7650
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.2544]
_cell_length_b [4.0731]
_cell_length_c [8.5201]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2518]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Th6CoIr2S3]
_chemical_formula_sum '[Th12 Co2 Ir4 S6]'
_cell_volume [604.9835]
_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  0.0039  0.0000  0.2317  1
  Th  Th1  4  0.1570  0.5000  0.0890  1
  Th  Th2  4  0.1709  0.5000  0.5749  1
  Co  Co3  2  0.0000  0.5000  0.0000  1
  Ir  Ir4  4  0.1658  0.0000  0.3323  1
  S  S5  4  0.1675  0.0000  0.8345  1
  S  S6  2  0.0000  0.5000  0.5000  1
]