# generated using pymatgen
data_Mo2RuBr12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.87761991
_cell_length_b   8.87761888
_cell_length_c   6.63107109
_cell_angle_alpha   68.69080494
_cell_angle_beta   68.69080969
_cell_angle_gamma   80.13320395
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo2RuBr12
_chemical_formula_sum   'Mo2 Ru1 Br12'
_cell_volume   453.12787013
_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  0.26425208  0.26425208  0.73668703  1.0
  Mo  Mo1  1  0.73574792  0.73574792  0.26331297  1.0
  Ru  Ru2  1  0.00000000  0.00000000  0.00000000  1.0
  Br  Br3  1  0.96900521  0.27494585  0.72587469  1.0
  Br  Br4  1  0.27494585  0.96900521  0.72587469  1.0
  Br  Br5  1  0.03099479  0.72505415  0.27412531  1.0
  Br  Br6  1  0.72505415  0.03099479  0.27412531  1.0
  Br  Br7  1  0.21679889  0.52898337  0.78228191  1.0
  Br  Br8  1  0.52898337  0.21679889  0.78228191  1.0
  Br  Br9  1  0.78320111  0.47101663  0.21771809  1.0
  Br  Br10  1  0.47101663  0.78320111  0.21771809  1.0
  Br  Br11  1  0.12623795  0.12623795  0.17791572  1.0
  Br  Br12  1  0.87376205  0.87376205  0.82208428  1.0
  Br  Br13  1  0.63106487  0.63106487  0.67972739  1.0
  Br  Br14  1  0.36893513  0.36893513  0.32027261  1.0