data_[Li1Hf1V2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [P1]
_cell_length_a [5.1561]
_cell_length_b [5.1940]
_cell_length_c [5.5258]
_cell_angle_alpha [62.5639]
_cell_angle_beta [62.5843]
_cell_angle_gamma [60.8122]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LiHfV2O6]
_chemical_formula_sum '[Li1 Hf1 V2 O6]'
_cell_volume [109.2286]
_cell_formula_units_Z [1]
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  1  0.8073  0.8003  0.5823  1.0
  Hf  Hf1  1  0.3011  0.3140  0.0777  1.0
  V  V2  1  0.0155  0.0137  0.9487  1.0
  V  V3  1  0.5137  0.5159  0.4532  1.0
  O  O4  1  0.1463  0.3752  0.7477  1.0
  O  O5  1  0.2292  0.9094  0.2258  1.0
  O  O6  1  0.3785  0.7293  0.7502  1.0
  O  O7  1  0.6244  0.2423  0.2346  1.0
  O  O8  1  0.7457  0.1344  0.7577  1.0
  O  O9  1  0.9001  0.6271  0.2374  1.0
]