# generated using pymatgen
data_HfPRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.39820626
_cell_length_b   6.39820725
_cell_length_c   3.76748512
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00001059
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfPRu
_chemical_formula_sum   'Hf3 P3 Ru3'
_cell_volume   133.56684605
_cell_formula_units_Z   3
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
  Hf  Hf0  1  -0.00000000  0.58351356  0.50000000  1.0
  Hf  Hf1  1  0.41648644  0.41648644  0.50000000  1.0
  Hf  Hf2  1  0.58351356  -0.00000000  0.50000000  1.0
  P  P3  1  0.66666700  0.33333300  0.00000000  1.0
  P  P4  1  0.33333300  0.66666700  -0.00000000  1.0
  P  P5  1  0.00000000  0.00000000  0.50000000  1.0
  Ru  Ru6  1  0.24640130  -0.00000000  0.00000000  1.0
  Ru  Ru7  1  0.75359870  0.75359870  -0.00000000  1.0
  Ru  Ru8  1  -0.00000000  0.24640130  -0.00000000  1.0