data_Li2VCrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.9
_cell_length_b   9.9
_cell_length_c   5.22
_cell_angle_alpha   95.56
_cell_angle_beta   95.56
_cell_angle_gamma   17.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2VCrO4
_chemical_formula_sum   'Li4 V2 Cr2 O8'
_cell_volume   151.19
_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  0.0  0.0  0.0  1.0
  Li  Li1  1  0.55  0.0  0.32  1.0
  Li  Li2  1  0.53  0.0  0.6  1.0
  Li  Li3  1  0.52  0.0  0.88  1.0
  V  V4  1  0.28  0.0  0.65  1.0
  V  V5  1  0.79  0.0  0.55  1.0
  Cr  Cr6  1  0.82  0.0  0.25  1.0
  Cr  Cr7  1  0.25  0.0  0.95  1.0
  O  O8  1  0.08  0.0  0.63  1.0
  O  O9  1  0.52  0.0  0.33  1.0
  O  O10  1  0.03  0.0  0.0  1.0
  O  O11  1  0.06  0.0  0.89  1.0
  O  O12  1  0.01  0.0  0.31  1.0
  O  O13  1  0.54  0.0  0.87  1.0
  O  O14  1  0.99  0.0  0.57  1.0
  O  O15  1  0.04  0.0  0.19  1.0

data_Li2VCrO4
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   5.22
_cell_length_c   9.9
_cell_angle_alpha   95.56
_cell_angle_beta   98.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2VCrO4
_chemical_formula_sum   'Li4 V2 Cr2 O8'
_cell_volume   151.19
_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  0.0  0.0  0.0  1.0
  Li  Li1  1  0.0  0.32  0.55  1.0
  Li  Li2  1  0.0  0.6  0.53  1.0
  Li  Li3  1  0.0  0.88  0.52  1.0
  V  V4  1  0.0  0.55  0.79  1.0
  V  V5  1  0.0  0.65  0.28  1.0
  Cr  Cr6  1  0.0  0.25  0.82  1.0
  Cr  Cr7  1  0.0  0.95  0.25  1.0
  O  O8  1  0.0  0.0  0.03  1.0
  O  O9  1  0.0  0.19  0.04  1.0
  O  O10  1  0.0  0.31  0.01  1.0
  O  O11  1  0.0  0.33  0.52  1.0
  O  O12  1  0.0  0.57  0.99  1.0
  O  O13  1  0.0  0.63  0.08  1.0
  O  O14  1  0.0  0.87  0.54  1.0
  O  O15  1  0.0  0.89  0.06  1.0

Li Li Li Li V V Cr Cr O O O O O O O O
Li Li Li Li V V Cr Cr O O O O O O O O 0 10 o o o 1 9 o o o 1 2 o o o 2 9 o o o 2 3 o o o 2 13 o o o 3 13 o o o 4 7 o o o 5 6 o o o 6 12 + o o 7 11 o o o 8 14 - o o 10 11 o o - 12 15 o o o 