data_LiV(CO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.11
_cell_length_b   6.11
_cell_length_c   5.85
_cell_angle_alpha   101.9
_cell_angle_beta   101.9
_cell_angle_gamma   89.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiV(CO3)2
_chemical_formula_sum   'Li2 V2 C4 O12'
_cell_volume   208.73
_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  0.05  0.04  0.2  1.0
  Li  Li1  1  0.9  0.96  0.4  1.0
  V  V2  1  0.05  0.63  0.2  1.0
  V  V3  1  0.9  0.37  0.4  1.0
  C  C4  1  0.62  0.84  0.99  1.0
  C  C5  1  0.47  0.16  0.19  1.0
  C  C6  1  0.49  0.84  0.4  1.0
  C  C7  1  0.34  0.16  0.6  1.0
  O  O8  1  0.19  0.64  0.95  1.0
  O  O9  1  0.79  0.51  1.0  1.0
  O  O10  1  0.75  0.05  0.61  1.0
  O  O11  1  0.04  0.36  0.15  1.0
  O  O12  1  0.64  0.49  0.2  1.0
  O  O13  1  0.6  0.95  0.81  1.0
  O  O14  1  0.36  0.05  0.78  1.0
  O  O15  1  0.32  0.51  0.4  1.0
  O  O16  1  0.92  0.64  0.44  1.0
  O  O17  1  0.21  0.95  0.98  1.0
  O  O18  1  0.17  0.49  0.6  1.0
  O  O19  1  0.77  0.36  0.65  1.0

data_LiV(CO3)2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.85
_cell_length_b   6.11
_cell_length_c   6.11
_cell_angle_alpha   89.72
_cell_angle_beta   78.1
_cell_angle_gamma   78.1
_symmetry_Int_Tables_number   2
_chemical_formula_structural   LiV(CO3)2
_chemical_formula_sum   'Li2 V2 C4 O12'
_cell_volume   208.73
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.1  0.07  0.04  1.0
  V  V1  2  0.1  0.07  0.63  1.0
  C  C2  2  0.1  0.49  0.16  1.0
  C  C3  2  0.31  0.64  0.84  1.0
  O  O4  2  0.1  0.66  0.49  1.0
  O  O5  2  0.15  0.06  0.36  1.0
  O  O6  2  0.3  0.81  0.51  1.0
  O  O7  2  0.31  0.23  0.95  1.0
  O  O8  2  0.35  0.21  0.64  1.0
  O  O9  2  0.48  0.62  0.95  1.0

Li Li V V C C C C O O O O O O O O O O O O
Li Li V V C C C C O O O O O O O O O O O O 0 1 - - o 0 11 o o o 0 17 o - - 0 5 o o o 1 10 o + o 1 16 o o o 1 6 o o o 2 9 - o - 2 11 o o o 2 16 - o o 2 15 o o o 2 8 o o - 3 19 o o o 3 12 o o o 3 11 + o o 3 16 o o o 3 18 + o o 4 13 o o o 4 5 o + + 4 6 o o + 5 14 o o - 5 17 o - - 5 15 o o o 5 7 o o o 5 13 o - - 5 6 o - o 5 12 o o o 6 15 o o o 6 14 o + o 6 7 o + o 6 12 o o o 6 10 o + o 6 13 o o o 7 14 o o o 8 18 o o o 8 17 o o o 9 19 o o o 9 12 o o + 9 11 + o + 10 13 o - o 10 19 o o o 13 14 o + o 14 17 o - o 15 18 o o o 16 18 + o o 