data_[V12In4O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  In  1.7800  1.5500  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.8060]
_cell_length_b [7.3257]
_cell_length_c [10.5874]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.1708]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [V3InO9]
_chemical_formula_sum '[V12 In4 O36]'
_cell_volume [927.0250]
_cell_formula_units_Z [4]
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  8  0.1151  0.1026  0.1763  1
  V  V1  4  0.0000  0.4646  0.2500  1
  In  In2  4  0.2500  0.2500  0.0000  1
  O  O3  8  0.0689  0.3192  0.1918  1
  O  O4  8  0.0978  0.4049  0.9010  1
  O  O5  8  0.1559  0.0290  0.8317  1
  O  O6  8  0.2238  0.1265  0.1622  1
  O  O7  4  0.0000  0.0000  0.0000  1
]