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 [P2_1/c]
_cell_length_a [5.9751]
_cell_length_b [5.3560]
_cell_length_c [11.4285]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.6799]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LiVO3]
_chemical_formula_sum '[Li4 V4 O12]'
_cell_volume [314.5495]
_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  4  0.4858  0.1929  0.8240  1.0
  V  V1  4  0.1737  0.6964  0.8253  1.0
  O  O2  4  0.1343  0.1307  0.2679  1.0
  O  O3  4  0.2808  0.7112  0.9902  1.0
  O  O4  4  0.3890  0.6638  0.2921  1.0
]