data_[Co1Cu3Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Cu  1.9000  1.3500  0.8200
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [6.9666]
_cell_length_b [7.1879]
_cell_length_c [18.1838]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [CoCu3Br8]
_chemical_formula_sum '[Co1 Cu3 Br8]'
_cell_volume [910.5436]
_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  0.1213  0.5000  0.5058  1
  Cu  Cu1  2  0.5837  0.2528  0.5141  1
  Cu  Cu2  1  0.8725  0.0000  0.4639  1
  Br  Br3  2  0.0308  0.2699  0.4161  1
  Br  Br4  2  0.2649  0.2673  0.5813  1
  Br  Br5  1  0.4969  0.5000  0.4263  1
  Br  Br6  1  0.5388  0.0000  0.4149  1
  Br  Br7  1  0.7344  0.0000  0.5900  1
  Br  Br8  1  0.7989  0.5000  0.5761  1
]