data_[Li4V2Cr6O16]
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
  Cr  1.6600  1.4000  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.2722]
_cell_length_b [7.7971]
_cell_length_c [7.8400]
_cell_angle_alpha [95.0829]
_cell_angle_beta [94.6453]
_cell_angle_gamma [108.9222]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li2VCr3O8]
_chemical_formula_sum '[Li4 V2 Cr6 O16]'
_cell_volume [301.5995]
_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  0.0178  0.0054  0.9913  1
  Li  Li1  1  0.2454  0.2272  0.7495  1
  Li  Li2  1  0.5087  0.5102  0.5253  1
  Li  Li3  1  0.7759  0.7704  0.2656  1
  V  V4  1  0.2159  0.6806  0.0585  1
  V  V5  1  0.9250  0.4241  0.3103  1
  Cr  Cr6  1  0.0477  0.5694  0.6847  1
  Cr  Cr7  1  0.3009  0.8167  0.4360  1
  Cr  Cr8  1  0.4534  0.9319  0.8091  1
  Cr  Cr9  1  0.5425  0.0636  0.1873  1
  Cr  Cr10  1  0.6994  0.1803  0.5638  1
  Cr  Cr11  1  0.7913  0.3170  0.9357  1
  O  O12  1  0.0728  0.3617  0.5141  1
  O  O13  1  0.0804  0.7764  0.8680  1
  O  O14  1  0.1701  0.8889  0.2055  1
  O  O15  1  0.1748  0.4803  0.9040  1
  O  O16  1  0.3081  0.5978  0.2687  1
  O  O17  1  0.3344  0.0305  0.6062  1
  O  O18  1  0.4130  0.7163  0.6404  1
  O  O19  1  0.4283  0.1447  0.9658  1
  O  O20  1  0.5592  0.8380  0.0389  1
  O  O21  1  0.5845  0.2917  0.3510  1
  O  O22  1  0.6636  0.9679  0.3907  1
  O  O23  1  0.6794  0.3965  0.7160  1
  O  O24  1  0.8280  0.1065  0.7861  1
  O  O25  1  0.8408  0.5379  0.1158  1
  O  O26  1  0.9174  0.6386  0.4576  1
  O  O27  1  0.9215  0.2295  0.1543  1
]