# generated using pymatgen
data_Mo6IrRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.00142300
_cell_length_b   5.00142300
_cell_length_c   5.00142300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo6IrRu
_chemical_formula_sum   'Mo6 Ir1 Ru1'
_cell_volume   125.10675538
_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
  Mo  Mo0  1  0.50000000  0.75076400  0.00000000  1.0
  Mo  Mo1  1  0.24923600  0.00000000  0.50000000  1.0
  Mo  Mo2  1  0.00000000  0.50000000  0.75076400  1.0
  Mo  Mo3  1  0.50000000  0.24923600  0.00000000  1.0
  Mo  Mo4  1  0.75076400  0.00000000  0.50000000  1.0
  Mo  Mo5  1  0.00000000  0.50000000  0.24923600  1.0
  Ir  Ir6  1  0.50000000  0.50000000  0.50000000  1.0
  Ru  Ru7  1  0.00000000  0.00000000  0.00000000  1.0