data_[Cu4Os4Br4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Os  2.2000  1.3000  0.6730
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.0210]
_cell_length_b [6.0567]
_cell_length_c [8.2036]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.0745]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CuOsBrO4]
_chemical_formula_sum '[Cu4 Os4 Br4 O16]'
_cell_volume [634.9223]
_cell_formula_units_Z [4]
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
[
  Cu  Cu0  4  0.1019  0.0000  0.0875  1.0
  Os  Os1  4  0.1765  0.5000  0.2935  1.0
  Br  Br2  4  0.0526  0.0000  0.7885  1.0
  O  O3  8  0.1850  0.2610  0.1740  1.0
  O  O4  4  0.0523  0.5000  0.3401  1.0
  O  O5  4  0.2301  0.0000  0.5251  1.0
]