data_[Hf2V4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  V  1.6300  1.3500  0.7775
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.8390]
_cell_length_b [3.6901]
_cell_length_c [6.5701]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.4684]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [HfV2O6]
_chemical_formula_sum '[Hf2 V4 O12]'
_cell_volume [209.6968]
_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
[
  Hf  Hf0  2  0.4768  0.5000  0.9708  1.0
  V  V1  2  0.1808  0.0000  0.6152  1.0
  V  V2  2  0.3194  0.5000  0.3690  1.0
  O  O3  2  0.0324  0.0000  0.7049  1.0
  O  O4  2  0.1334  0.5000  0.0977  1.0
  O  O5  2  0.2489  0.5000  0.6305  1.0
  O  O6  2  0.2792  0.0000  0.4097  1.0
  O  O7  2  0.3554  0.0000  0.9122  1.0
  O  O8  2  0.4733  0.5000  0.2900  1.0
]