data_[Co1Os2Au1Br1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Os  2.2000  1.3000  0.6730
  Au  2.5400  1.3500  1.0700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.0152]
_cell_length_b [5.0152]
_cell_length_c [4.7939]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [CoOs2AuBr]
_chemical_formula_sum '[Co1 Os2 Au1 Br1]'
_cell_volume [120.5784]
_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
[
  Co  Co0  1  0.0000  0.0000  0.5000  1
  Os  Os1  2  0.0000  0.5000  0.0000  1
  Au  Au2  1  0.0000  0.0000  0.0000  1
  Br  Br3  1  0.5000  0.5000  0.5000  1
]