data_[Th24Co4Sb12]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [11.7594]
_cell_length_b [14.8437]
_cell_length_c [7.4495]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Th6CoSb3]
_chemical_formula_sum '[Th24 Co4 Sb12]'
_cell_volume [1300.3236]
_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  0.1557  0.2445  0.8317  1
  Th  Th1  8  0.1588  0.4597  0.3217  1
  Th  Th2  4  0.0000  0.0122  0.7604  1
  Th  Th3  4  0.0000  0.2356  0.3038  1
  Co  Co4  4  0.0000  0.1394  0.0041  1
  Sb  Sb5  8  0.1838  0.1058  0.5017  1
  Sb  Sb6  4  0.0000  0.3909  0.6362  1
]