data_[Co2Ru4Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Ru  2.2000  1.3000  0.6610
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.0866]
_cell_length_b [2.8613]
_cell_length_c [6.6636]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.0423]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CoRu2Br]
_chemical_formula_sum '[Co2 Ru4 Br2]'
_cell_volume [153.7985]
_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
[
  Co  Co0  2  0.1850  0.5000  0.1599  1
  Ru  Ru1  2  0.2094  0.0000  0.8357  1
  Ru  Ru2  2  0.4506  0.5000  0.9921  1
  Br  Br3  2  0.1550  0.5000  0.5123  1
]