data_[Mo4Os2Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mo  2.1600  1.4500  0.7750
  Os  2.2000  1.3000  0.6730
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.0676]
_cell_length_b [2.9865]
_cell_length_c [4.4656]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.4473]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Mo2OsBr]
_chemical_formula_sum '[Mo4 Os2 Br2]'
_cell_volume [133.8648]
_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  2  0.0364  0.0000  0.0115  1
  Mo  Mo1  2  0.2389  0.5000  0.2841  1
  Os  Os2  2  0.4682  0.0000  0.4486  1
  Br  Br3  2  0.2565  0.0000  0.7559  1
]