data_[Th8Cu12Sn8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Cu  1.9000  1.3500  0.8200
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [I2_13]
_cell_length_a [8.6186]
_cell_length_b [8.6186]
_cell_length_c [8.6186]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [199]
_chemical_formula_structural [Th2Cu3Sn2]
_chemical_formula_sum '[Th8 Cu12 Sn8]'
_cell_volume [640.1933]
_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  0.0011  0.4989  0.5011  1
  Cu  Cu1  12  0.0000  0.2500  0.2327  1
  Sn  Sn2  8  0.2107  0.2893  0.7107  1
]