data_[Li6V6B4O20]
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 [Pm]
_cell_length_a [9.4339]
_cell_length_b [2.9930]
_cell_length_c [12.0647]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.8457]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Li3V3(BO5)2]
_chemical_formula_sum '[Li6 V6 B4 O20]'
_cell_volume [340.6133]
_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  1  0.0016  0.5000  0.2758  1
  Li  Li1  1  0.4943  0.0000  0.0126  1
  Li  Li2  1  0.4952  0.5000  0.2108  1
  Li  Li3  1  0.5002  0.5000  0.4965  1
  Li  Li4  1  0.9920  0.5000  0.0031  1
  Li  Li5  1  0.9999  0.5000  0.7218  1
  V  V6  1  0.0044  0.0000  0.4990  1
  V  V7  1  0.2293  0.0000  0.8978  1
  V  V8  1  0.2645  0.0000  0.3800  1
  V  V9  1  0.4956  0.5000  0.7868  1
  V  V10  1  0.7375  0.0000  0.6120  1
  V  V11  1  0.7561  0.0000  0.1138  1
  B  B12  1  0.2374  0.0000  0.1419  1
  B  B13  1  0.2713  0.0000  0.6326  1
  B  B14  1  0.7364  0.0000  0.3617  1
  B  B15  1  0.7687  0.0000  0.8587  1
  O  O16  1  0.1200  0.5000  0.8566  1
  O  O17  1  0.1226  0.5000  0.4307  1
  O  O18  1  0.1262  0.0000  0.6372  1
  O  O19  1  0.1532  0.0000  0.0425  1
  O  O20  1  0.1592  0.0000  0.2404  1
  O  O21  1  0.3490  0.0000  0.7362  1
  O  O22  1  0.3491  0.0000  0.5379  1
  O  O23  1  0.3746  0.5000  0.9200  1
  O  O24  1  0.3754  0.5000  0.3534  1
  O  O25  1  0.3791  0.0000  0.1420  1
  O  O26  1  0.6145  0.5000  0.6515  1
  O  O27  1  0.6173  0.0000  0.8541  1
  O  O28  1  0.6324  0.5000  0.0731  1
  O  O29  1  0.6589  0.0000  0.4613  1
  O  O30  1  0.6647  0.0000  0.2618  1
  O  O31  1  0.8382  0.0000  0.7579  1
  O  O32  1  0.8412  0.0000  0.9570  1
  O  O33  1  0.8778  0.5000  0.1455  1
  O  O34  1  0.8796  0.5000  0.5702  1
  O  O35  1  0.8827  0.0000  0.3654  1
]