data_[Cu4Sb2Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Sb  2.0500  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.3418]
_cell_length_b [8.7254]
_cell_length_c [6.7296]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.3968]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cu2SbBr8]
_chemical_formula_sum '[Cu4 Sb2 Br16]'
_cell_volume [775.0059]
_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  0.1924  0.0000  0.6751  1.0
  Sb  Sb1  2  0.0000  0.0000  0.0000  1.0
  Br  Br2  8  0.0970  0.2086  0.7986  1.0
  Br  Br3  4  0.1405  0.5000  0.3590  1.0
  Br  Br4  4  0.1556  0.0000  0.2925  1.0
]