data_[Rb4V2Cu2I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  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]
_cell_length_a [12.8097]
_cell_length_b [9.2092]
_cell_length_c [8.5904]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.6169]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Rb2VCuI6]
_chemical_formula_sum '[Rb4 V2 Cu2 I12]'
_cell_volume [769.2390]
_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
[
  Rb  Rb0  4  0.2467  0.4956  0.7687  1.0
  V  V1  2  0.0000  0.0007  0.5000  1.0
  Cu  Cu2  2  0.0000  0.6397  0.0000  1.0
  I  I3  4  0.0273  0.2023  0.3018  1.0
  I  I4  4  0.0300  0.7633  0.3013  1.0
  I  I5  4  0.2173  0.4708  0.1804  1.0
]