data_[Th2Zn4Cu2]
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 [P2_1/m]
_cell_length_a [4.8118]
_cell_length_b [4.4147]
_cell_length_c [7.3472]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.8341]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ThZn2Cu]
_chemical_formula_sum '[Th2 Zn4 Cu2]'
_cell_volume [154.6172]
_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  2  0.4583  0.2500  0.8151  1
  Zn  Zn1  2  0.0217  0.2500  0.1047  1
  Zn  Zn2  2  0.1387  0.7500  0.5359  1
  Cu  Cu3  2  0.3504  0.2500  0.4104  1
]