# generated using pymatgen
data_ThNi4(AuO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.47203063
_cell_length_b   6.47203089
_cell_length_c   6.47203057
_cell_angle_alpha   109.47122260
_cell_angle_beta   109.47122342
_cell_angle_gamma   109.47121704
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThNi4(AuO4)3
_chemical_formula_sum   'Th1 Ni4 Au3 O12'
_cell_volume   208.68912001
_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  0.00000000  0.00000000  0.00000000  1.0
  Ni  Ni1  1  0.00000000  0.00000000  0.50000000  1.0
  Ni  Ni2  1  0.00000000  0.50000000  0.00000000  1.0
  Ni  Ni3  1  0.50000000  0.00000000  0.00000000  1.0
  Ni  Ni4  1  0.50000000  0.50000000  0.50000000  1.0
  Au  Au5  1  0.00000000  0.50000000  0.50000000  1.0
  Au  Au6  1  0.50000000  0.00000000  0.50000000  1.0
  Au  Au7  1  0.50000000  0.50000000  0.00000000  1.0
  O  O8  1  0.29430165  0.11972324  0.82542059  1.0
  O  O9  1  0.70569835  0.88027676  0.17457941  1.0
  O  O10  1  0.70569835  0.53111794  0.82542059  1.0
  O  O11  1  0.46888206  0.17457941  0.29430165  1.0
  O  O12  1  0.17457941  0.29430165  0.46888206  1.0
  O  O13  1  0.82542059  0.29430165  0.11972324  1.0
  O  O14  1  0.88027676  0.17457941  0.70569835  1.0
  O  O15  1  0.82542059  0.70569835  0.53111794  1.0
  O  O16  1  0.29430165  0.46888206  0.17457941  1.0
  O  O17  1  0.53111794  0.82542059  0.70569835  1.0
  O  O18  1  0.17457941  0.70569835  0.88027676  1.0
  O  O19  1  0.11972324  0.82542059  0.29430165  1.0