# generated using pymatgen
data_MoRu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46418178
_cell_length_b   5.46418035
_cell_length_c   4.34151218
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000251
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoRu3
_chemical_formula_sum   'Mo2 Ru6'
_cell_volume   112.25916514
_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
  Mo  Mo0  1  0.66666800  0.33333300  0.25000200  1.0
  Mo  Mo1  1  0.33333400  0.66666800  0.75000100  1.0
  Ru  Ru2  1  0.83387890  0.16612310  0.75000100  1.0
  Ru  Ru3  1  0.33224620  0.16612310  0.75000100  1.0
  Ru  Ru4  1  0.83387790  0.66775580  0.75000100  1.0
  Ru  Ru5  1  0.16612310  0.83387790  0.25000200  1.0
  Ru  Ru6  1  0.66775580  0.83387790  0.25000200  1.0
  Ru  Ru7  1  0.16612310  0.33224520  0.25000200  1.0