# generated using pymatgen
data_Th(ZrAu2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.82701262
_cell_length_b   5.82701367
_cell_length_c   5.82701317
_cell_angle_alpha   102.80664724
_cell_angle_beta   102.80666401
_cell_angle_gamma   123.82626783
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th(ZrAu2)2
_chemical_formula_sum   'Th1 Zr2 Au4'
_cell_volume   145.00457873
_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
  Zr  Zr1  1  0.25000000  0.75000000  0.50000000  1.0
  Zr  Zr2  1  0.75000000  0.25000000  0.50000000  1.0
  Au  Au3  1  0.30424180  0.30424180  0.60848560  1.0
  Au  Au4  1  0.69575820  0.69575820  0.39151440  1.0
  Au  Au5  1  0.69575820  0.30424180  1.00000000  1.0
  Au  Au6  1  0.30424180  0.69575820  0.00000000  1.0