data_[Cs2V2Cu4Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  V  1.6300  1.3500  0.7775
  Cu  1.9000  1.3500  0.8200
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.7687]
_cell_length_b [7.2125]
_cell_length_c [10.3654]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.3918]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsV(CuBr4)2]
_chemical_formula_sum '[Cs2 V2 Cu4 Br16]'
_cell_volume [796.4547]
_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  0.0000  0.5000  1
  V  V1  2  0.0000  0.0000  0.0000  1
  Cu  Cu2  4  0.1261  0.5000  0.8036  1
  Br  Br3  8  0.0255  0.2418  0.1739  1
  Br  Br4  4  0.1725  0.5000  0.5917  1
  Br  Br5  4  0.2306  0.0000  0.9959  1
]