data_[Th6Zn4Cu8]
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 [10.4624]
_cell_length_b [4.4825]
_cell_length_c [8.4694]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.6586]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Th3(ZnCu2)2]
_chemical_formula_sum '[Th6 Zn4 Cu8]'
_cell_volume [360.9719]
_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  0.1601  0.5000  0.6749  1
  Th  Th1  2  0.0000  0.0000  0.0000  1
  Zn  Zn2  4  0.1244  0.5000  0.2899  1
  Cu  Cu3  4  0.0693  0.0000  0.4015  1
  Cu  Cu4  4  0.2209  0.5000  0.0542  1
]