data_[Cs2V2Cu4I16]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.5981]
_cell_length_b [7.7187]
_cell_length_c [10.8781]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.0844]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsV(CuI4)2]
_chemical_formula_sum '[Cs2 V2 Cu4 I16]'
_cell_volume [952.2538]
_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  1.0
  V  V1  2  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  4  0.1110  0.5000  0.8033  1.0
  I  I3  8  0.0394  0.2447  0.1854  1.0
  I  I4  4  0.1652  0.5000  0.5914  1.0
  I  I5  4  0.2330  0.0000  0.9922  1.0
]