data_[Th6Zn8Ni8]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.9052]
_cell_length_b [7.3636]
_cell_length_c [13.8901]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Th3(ZnNi)4]
_chemical_formula_sum '[Th6 Zn8 Ni8]'
_cell_volume [399.4302]
_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  0.0000  0.0000  0.1258  1
  Th  Th1  2  0.0000  0.5000  0.0000  1
  Zn  Zn2  8  0.0000  0.1873  0.3276  1
  Ni  Ni3  4  0.0000  0.3069  0.5000  1
  Ni  Ni4  4  0.0000  0.5000  0.2250  1
]