data_[Cs2Cu4I4Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Cu  1.9000  1.3500  0.8200
  I  2.6600  1.4000  1.2733
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.3184]
_cell_length_b [6.1909]
_cell_length_c [8.6122]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6862]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsCu2I2Br]
_chemical_formula_sum '[Cs2 Cu4 I4 Br2]'
_cell_volume [426.9942]
_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
[
  Cs  Cs0  2  0.3326  0.7500  0.6763  1
  Cu  Cu1  4  0.1431  0.0392  0.1271  1
  I  I2  2  0.1643  0.2500  0.3948  1
  I  I3  2  0.3791  0.7500  0.1425  1
  Br  Br4  2  0.0969  0.2500  0.8722  1
]