data_[Li6V2B4O12]
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 [P-1]
_cell_length_a [5.0662]
_cell_length_b [6.6681]
_cell_length_c [8.0865]
_cell_angle_alpha [72.3037]
_cell_angle_beta [88.5079]
_cell_angle_gamma [89.8467]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li3V(BO3)2]
_chemical_formula_sum '[Li6 V2 B4 O12]'
_cell_volume [260.1556]
_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
[
  Li  Li0  2  0.1517  0.4754  0.7282  1
  Li  Li1  2  0.1612  0.2520  0.1153  1
  Li  Li2  2  0.3336  0.3999  0.4253  1
  V  V3  2  0.3604  0.0533  0.7813  1
  B  B4  2  0.1615  0.8154  0.4024  1
  B  B5  2  0.3327  0.6688  0.0770  1
  O  O6  2  0.1117  0.2053  0.6115  1
  O  O7  2  0.2078  0.5011  0.1888  1
  O  O8  2  0.2089  0.7933  0.9284  1
  O  O9  2  0.2855  0.9943  0.2880  1
  O  O10  2  0.3019  0.6627  0.5156  1
  O  O11  2  0.4043  0.2730  0.8968  1
]