data_[Cu8Br2Cl10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [7.0936]
_cell_length_b [10.6747]
_cell_length_c [5.9991]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Cu4BrCl5]
_chemical_formula_sum '[Cu8 Br2 Cl10]'
_cell_volume [454.2616]
_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
[
  Cu  Cu0  4  0.0000  0.2408  0.9891  1
  Cu  Cu1  4  0.2406  0.5000  0.5402  1
  Br  Br2  2  0.0000  0.0000  0.7146  1
  Cl  Cl3  8  0.2498  0.3314  0.7860  1
  Cl  Cl4  2  0.0000  0.5000  0.3001  1
]