data_[Cu10S4Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  S  2.5800  1.0000  0.8800
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.4493]
_cell_length_b [3.9652]
_cell_length_c [7.1767]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2569]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cu5(SBr)2]
_chemical_formula_sum '[Cu10 S4 Br4]'
_cell_volume [426.0980]
_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  0.1233  0.5000  0.1137  1
  Cu  Cu1  4  0.1420  0.0000  0.3274  1
  Cu  Cu2  2  0.0000  0.0000  0.0000  1
  S  S3  4  0.1386  0.0000  0.0001  1
  Br  Br4  4  0.1411  0.5000  0.5186  1
]