data_[Li4V10Cu2O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [C2]
_cell_length_a [10.9024]
_cell_length_b [8.5289]
_cell_length_c [5.6778]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.4741]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Li2V5CuO12]
_chemical_formula_sum '[Li4 V10 Cu2 O24]'
_cell_volume [487.8569]
_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
[
  Li  Li0  2  0.0000  0.2700  0.5000  1.0
  Li  Li1  2  0.0000  0.7139  0.0000  1.0
  V  V2  4  0.2209  0.5975  0.5162  1.0
  V  V3  4  0.2262  0.3897  0.0431  1.0
  V  V4  2  0.0000  0.0748  0.0000  1.0
  Cu  Cu5  2  0.0000  0.8899  0.5000  1.0
  O  O6  4  0.0999  0.8981  0.9181  1.0
  O  O7  4  0.1072  0.0914  0.3903  1.0
  O  O8  4  0.1170  0.2306  0.9392  1.0
  O  O9  4  0.1509  0.5584  0.1807  1.0
  O  O10  4  0.1599  0.4712  0.6885  1.0
  O  O11  4  0.1840  0.7884  0.5792  1.0
]