# generated using pymatgen
data_ThPRh2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.96550988
_cell_length_b   3.96550988
_cell_length_c   11.35340000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThPRh2Au
_chemical_formula_sum   'Th2 P2 Rh4 Au2'
_cell_volume   178.53526429
_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  0.50000000  0.00000000  0.74773096  1.0
  Th  Th1  1  0.00000000  0.50000000  0.25226904  1.0
  P  P2  1  0.50000000  0.00000000  0.11520361  1.0
  P  P3  1  0.00000000  0.50000000  0.88479639  1.0
  Rh  Rh4  1  0.00000000  0.50000000  0.68482373  1.0
  Rh  Rh5  1  0.50000000  0.00000000  0.31517627  1.0
  Rh  Rh6  1  0.00000000  0.00000000  0.00000000  1.0
  Rh  Rh7  1  0.50000000  0.50000000  0.00000000  1.0
  Au  Au8  1  0.50000000  0.50000000  0.50000000  1.0
  Au  Au9  1  0.00000000  0.00000000  0.50000000  1.0