data_[V4Cu2I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [12.8692]
_cell_length_b [11.2133]
_cell_length_c [6.9299]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.9629]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [V2CuI8]
_chemical_formula_sum '[V4 Cu2 I16]'
_cell_volume [999.8811]
_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
[
  V  V0  4  0.1962  0.0000  0.6471  1.0
  Cu  Cu1  2  0.0000  0.0000  0.0000  1.0
  I  I2  8  0.0985  0.1798  0.7818  1.0
  I  I3  4  0.1157  0.5000  0.2426  1.0
  I  I4  4  0.1880  0.0000  0.2802  1.0
]