data_[Th8Co12Sn20]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.4071]
_cell_length_b [26.3491]
_cell_length_c [7.1899]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Th2Co3Sn5]
_chemical_formula_sum '[Th8 Co12 Sn20]'
_cell_volume [834.9156]
_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  4  0.0000  0.1707  0.2268  1
  Th  Th1  4  0.0000  0.4715  0.2599  1
  Co  Co2  4  0.0000  0.0497  0.4832  1
  Co  Co3  4  0.0000  0.2244  0.7189  1
  Co  Co4  4  0.0000  0.3931  0.5078  1
  Sn  Sn5  4  0.0000  0.0493  0.0970  1
  Sn  Sn6  4  0.0000  0.1246  0.7502  1
  Sn  Sn7  4  0.0000  0.2876  0.0132  1
  Sn  Sn8  4  0.0000  0.2945  0.4289  1
  Sn  Sn9  4  0.0000  0.4068  0.8790  1
]