data_[Cs2Cu2As2Br12]
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
  As  2.1800  1.1500  0.6600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [8.4584]
_cell_length_b [10.9733]
_cell_length_c [7.2841]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2159]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CsCuAsBr6]
_chemical_formula_sum '[Cs2 Cu2 As2 Br12]'
_cell_volume [649.1873]
_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  0.0000  0.8759  0.0000  1
  Cu  Cu1  2  0.0000  0.6819  0.5000  1
  As  As2  2  0.0000  0.3187  0.5000  1
  Br  Br3  4  0.1031  0.5423  0.7566  1
  Br  Br4  4  0.1203  0.1784  0.7613  1
  Br  Br5  4  0.2095  0.8412  0.5877  1
]