data_[V8Cu2O22]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [15.1791]
_cell_length_b [3.6029]
_cell_length_c [7.3787]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6681]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [V4CuO11]
_chemical_formula_sum '[V8 Cu2 O22]'
_cell_volume [388.5395]
_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  2  0.1985  0.5000  0.8652  1.0
  V  V1  2  0.2487  0.0000  0.5347  1.0
  V  V2  2  0.4111  0.5000  0.8628  1.0
  V  V3  2  0.4680  0.0000  0.5459  1.0
  Cu  Cu4  2  0.0822  0.5000  0.2089  1.0
  O  O5  2  0.0107  0.0000  0.0309  1.0
  O  O6  2  0.0795  0.5000  0.6985  1.0
  O  O7  2  0.1467  0.0000  0.3659  1.0
  O  O8  2  0.1665  0.5000  0.0647  1.0
  O  O9  2  0.2087  0.0000  0.7969  1.0
  O  O10  2  0.2579  0.5000  0.6164  1.0
  O  O11  2  0.3278  0.5000  0.9857  1.0
  O  O12  2  0.3298  0.0000  0.4153  1.0
  O  O13  2  0.3977  0.0000  0.7838  1.0
  O  O14  2  0.4480  0.5000  0.6075  1.0
  O  O15  2  0.4913  0.0000  0.3354  1.0
]