# generated using pymatgen
data_Th(NbAu2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.73915892
_cell_length_b   5.73915765
_cell_length_c   5.73915883
_cell_angle_alpha   102.21171339
_cell_angle_beta   102.21170879
_cell_angle_gamma   125.23636193
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th(NbAu2)2
_chemical_formula_sum   'Th1 Nb2 Au4'
_cell_volume   137.10183107
_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
  Nb  Nb1  1  0.25000000  0.75000000  0.50000000  1.0
  Nb  Nb2  1  0.75000000  0.25000000  0.50000000  1.0
  Au  Au3  1  0.30556369  0.30556369  0.61112638  1.0
  Au  Au4  1  0.69443631  0.69443631  0.38887362  1.0
  Au  Au5  1  0.69443631  0.30556369  0.00000000  1.0
  Au  Au6  1  0.30556369  0.69443631  1.00000000  1.0