data_[Li4V4O12]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [5.2412]
_cell_length_b [8.4012]
_cell_length_c [5.3672]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.3975]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [LiVO3]
_chemical_formula_sum '[Li4 V4 O12]'
_cell_volume [215.2268]
_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
[
  Li  Li0  2  0.0000  0.1310  0.5000  1.0
  Li  Li1  2  0.0000  0.4934  0.5000  1.0
  V  V2  2  0.0000  0.3268  0.0000  1.0
  V  V3  2  0.0000  0.6775  0.0000  1.0
  O  O4  4  0.1801  0.5058  0.2355  1.0
  O  O5  4  0.2136  0.3109  0.7806  1.0
  O  O6  4  0.2260  0.6899  0.7886  1.0
]