data_[Cu8Sb4I24]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.6670]
_cell_length_b [14.6392]
_cell_length_c [7.7535]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7646]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cu2SbI6]
_chemical_formula_sum '[Cu8 Sb4 I24]'
_cell_volume [1673.5252]
_cell_formula_units_Z [4]
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  8  0.2296  0.4652  0.7873  1.0
  Sb  Sb1  4  0.0000  0.1021  0.7500  1.0
  I  I2  8  0.1150  0.0940  0.1628  1.0
  I  I3  8  0.1188  0.2234  0.6736  1.0
  I  I4  8  0.1286  0.4975  0.4637  1.0
]