data_[Th12Co4P2Se6]
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
  P  2.1900  1.0000  0.5500
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.4999]
_cell_length_b [3.9926]
_cell_length_c [8.6452]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.1900]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Th6Co2PSe3]
_chemical_formula_sum '[Th12 Co4 P2 Se6]'
_cell_volume [616.2448]
_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  0.0077  0.0000  0.2411  1
  Th  Th1  4  0.1650  0.5000  0.1111  1
  Th  Th2  4  0.1744  0.5000  0.5527  1
  Co  Co3  4  0.1668  0.0000  0.3307  1
  P  P4  2  0.0000  0.5000  0.0000  1
  Se  Se5  4  0.1623  0.0000  0.8323  1
  Se  Se6  2  0.0000  0.5000  0.5000  1
]