data_[Th8Zn6Cu10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Zn  1.6500  1.3500  0.8800
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.4215]
_cell_length_b [4.5072]
_cell_length_c [10.3628]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.3111]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Th4Zn3Cu5]
_chemical_formula_sum '[Th8 Zn6 Cu10]'
_cell_volume [511.5531]
_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  0.0189  0.0000  0.8050  1
  Th  Th1  4  0.2369  0.5000  0.7532  1
  Zn  Zn2  4  0.1978  0.5000  0.4236  1
  Zn  Zn3  2  0.0000  0.0000  0.5000  1
  Cu  Cu4  4  0.0891  0.5000  0.1271  1
  Cu  Cu5  4  0.2088  0.5000  0.0136  1
  Cu  Cu6  2  0.0000  0.5000  0.5000  1
]