data_[Th6Cu8Sn4]
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 [C2/m]
_cell_length_a [11.0879]
_cell_length_b [4.4904]
_cell_length_c [8.7261]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.7287]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Th3(Cu2Sn)2]
_chemical_formula_sum '[Th6 Cu8 Sn4]'
_cell_volume [400.7262]
_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  0.1476  0.5000  0.6893  1
  Th  Th1  2  0.0000  0.0000  0.0000  1
  Cu  Cu2  4  0.0824  0.0000  0.4298  1
  Cu  Cu3  4  0.2256  0.5000  0.0486  1
  Sn  Sn4  4  0.1373  0.5000  0.2988  1
]