data_[Th4Zn1Cu3]
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 [Pmm2]
_cell_length_a [3.7219]
_cell_length_b [4.2829]
_cell_length_c [11.7518]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Th4ZnCu3]
_chemical_formula_sum '[Th4 Zn1 Cu3]'
_cell_volume [187.3293]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.1570  1
  Th  Th1  1  0.0000  0.5000  0.8432  1
  Th  Th2  1  0.5000  0.0000  0.6488  1
  Th  Th3  1  0.5000  0.5000  0.3528  1
  Zn  Zn4  1  0.5000  0.5000  0.0606  1
  Cu  Cu5  1  0.0000  0.0000  0.4382  1
  Cu  Cu6  1  0.0000  0.5000  0.5625  1
  Cu  Cu7  1  0.5000  0.0000  0.9370  1
]