data_[Li4V4B4O16]
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
  B  2.0400  0.8500  0.4100
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.1245]
_cell_length_b [3.1145]
_cell_length_c [9.4087]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [LiVBO4]
_chemical_formula_sum '[Li4 V4 B4 O16]'
_cell_volume [267.3805]
_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  0.1244  0.7500  0.0654  1
  V  V1  4  0.1083  0.7500  0.7123  1
  B  B2  4  0.1620  0.7500  0.3870  1
  O  O3  4  0.0094  0.7500  0.3661  1
  O  O4  4  0.0233  0.7500  0.8715  1
  O  O5  4  0.2214  0.7500  0.5179  1
  O  O6  4  0.2485  0.7500  0.2616  1
]