# generated using pymatgen
data_ThCu4(AuO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.51232242
_cell_length_b   6.51232276
_cell_length_c   6.51232182
_cell_angle_alpha   109.47121773
_cell_angle_beta   109.47121876
_cell_angle_gamma   109.47121724
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThCu4(AuO4)3
_chemical_formula_sum   'Th1 Cu4 Au3 O12'
_cell_volume   212.61104282
_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
  Cu  Cu1  1  0.50000000  0.00000000  0.00000000  1.0
  Cu  Cu2  1  0.50000000  0.50000000  0.50000000  1.0
  Cu  Cu3  1  0.00000000  0.50000000  0.00000000  1.0
  Cu  Cu4  1  0.00000000  0.00000000  0.50000000  1.0
  Au  Au5  1  0.00000000  0.50000000  0.50000000  1.0
  Au  Au6  1  0.50000000  0.50000000  0.00000000  1.0
  Au  Au7  1  0.50000000  0.00000000  0.50000000  1.0
  O  O8  1  0.29528410  0.82617522  0.12145932  1.0
  O  O9  1  0.70471590  0.17382478  0.87854068  1.0
  O  O10  1  0.70471590  0.82617522  0.53089112  1.0
  O  O11  1  0.87854068  0.70471590  0.17382478  1.0
  O  O12  1  0.82617522  0.12145932  0.29528410  1.0
  O  O13  1  0.17382478  0.46910888  0.29528410  1.0
  O  O14  1  0.46910888  0.29528410  0.17382478  1.0
  O  O15  1  0.17382478  0.87854068  0.70471590  1.0
  O  O16  1  0.29528410  0.17382478  0.46910888  1.0
  O  O17  1  0.12145932  0.29528410  0.82617522  1.0
  O  O18  1  0.82617522  0.53089112  0.70471590  1.0
  O  O19  1  0.53089112  0.70471590  0.82617522  1.0