data_[Li2V4Cr2O12]
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 [5.0308]
_cell_length_b [5.0314]
_cell_length_c [9.6258]
_cell_angle_alpha [90.0964]
_cell_angle_beta [104.9800]
_cell_angle_gamma [119.5799]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LiV2CrO6]
_chemical_formula_sum '[Li2 V4 Cr2 O12]'
_cell_volume [202.2508]
_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  0.2814  0.6354  0.9279  1.0
  Li  Li1  1  0.2871  0.1475  0.4279  1.0
  V  V2  1  0.0012  0.4969  0.5037  1.0
  V  V3  1  0.0110  0.0117  0.0044  1.0
  V  V4  1  0.4870  0.2397  0.7451  1.0
  V  V5  1  0.5037  0.7591  0.2453  1.0
  Cr  Cr6  1  0.8031  0.4043  0.2043  1.0
  Cr  Cr7  1  0.8049  0.8977  0.7042  1.0
  O  O8  1  0.0978  0.2156  0.6059  1.0
  O  O9  1  0.1050  0.7280  0.1090  1.0
  O  O10  1  0.2094  0.4953  0.3541  1.0
  O  O11  1  0.2117  0.9730  0.8500  1.0
  O  O12  1  0.3818  0.3724  0.1052  1.0
  O  O13  1  0.3919  0.8851  0.6098  1.0
  O  O14  1  0.6145  0.6135  0.8461  1.0
  O  O15  1  0.6191  0.1439  0.3498  1.0
  O  O16  1  0.7301  0.0149  0.1065  1.0
  O  O17  1  0.7436  0.5125  0.6034  1.0
  O  O18  1  0.8524  0.7399  0.3462  1.0
  O  O19  1  0.8635  0.2137  0.8530  1.0
]