# generated using pymatgen
data_ThGa2CuNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.17594111
_cell_length_b   4.17594111
_cell_length_c   9.86943910
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThGa2CuNi
_chemical_formula_sum   'Th2 Ga4 Cu2 Ni2'
_cell_volume   172.10805766
_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  1  0.00000000  0.50000000  0.25036721  1.0
  Th  Th1  1  0.50000000  0.00000000  0.74963279  1.0
  Ga  Ga2  1  0.50000000  0.00000000  0.13414010  1.0
  Ga  Ga3  1  0.00000000  0.00000000  0.50000000  1.0
  Ga  Ga4  1  0.50000000  0.50000000  0.50000000  1.0
  Ga  Ga5  1  0.00000000  0.50000000  0.86585990  1.0
  Cu  Cu6  1  0.00000000  0.00000000  0.00000000  1.0
  Cu  Cu7  1  0.50000000  0.50000000  0.00000000  1.0
  Ni  Ni8  1  0.50000000  0.00000000  0.37271175  1.0
  Ni  Ni9  1  0.00000000  0.50000000  0.62728825  1.0