# generated using pymatgen
data_MoRuBr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.78153104
_cell_length_b   6.78153146
_cell_length_c   5.96986592
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999791
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoRuBr6
_chemical_formula_sum   'Mo1 Ru1 Br6'
_cell_volume   237.76654836
_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  0.00000000  0.00000000  0.00000000  1.0
  Ru  Ru1  1  0.00000000  0.00000000  0.50000000  1.0
  Br  Br2  1  0.00000000  0.30366735  0.25577304  1.0
  Br  Br3  1  0.69633265  0.69633265  0.25577304  1.0
  Br  Br4  1  1.00000000  0.69633265  0.74422696  1.0
  Br  Br5  1  0.30366735  0.30366735  0.74422696  1.0
  Br  Br6  1  0.69633265  0.00000000  0.74422696  1.0
  Br  Br7  1  0.30366735  0.00000000  0.25577304  1.0