data_LiVPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   6.4
_cell_length_c   8.37
_cell_angle_alpha   90.0
_cell_angle_beta   95.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiVPCO7
_chemical_formula_sum   'Li2 V2 P2 C2 O14'
_cell_volume   277.79
_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  0.51  0.8  0.83  1.0
  Li  Li1  1  0.85  0.6  0.49  1.0
  V  V2  1  0.43  0.6  0.69  1.0
  V  V3  1  0.93  0.8  0.64  1.0
  P  P4  1  0.56  0.8  0.52  1.0
  P  P5  1  0.8  0.6  0.8  1.0
  C  C6  1  0.38  0.6  0.43  1.0
  C  C7  1  0.98  0.8  0.9  1.0
  O  O8  1  0.06  0.6  0.64  1.0
  O  O9  1  0.3  0.8  0.68  1.0
  O  O10  1  0.27  0.8  0.68  1.0
  O  O11  1  0.09  0.6  0.65  1.0
  O  O12  1  0.03  0.6  0.58  1.0
  O  O13  1  0.33  0.8  0.74  1.0
  O  O14  1  0.83  0.6  0.65  1.0
  O  O15  1  0.53  0.8  0.68  1.0
  O  O16  1  0.76  0.8  0.13  1.0
  O  O17  1  0.6  0.6  0.19  1.0
  O  O18  1  0.35  0.01  0.58  1.0
  O  O19  1  0.35  0.59  0.58  1.0
  O  O20  1  0.01  0.81  0.75  1.0
  O  O21  1  0.01  0.39  0.75  1.0

data_LiVPCO7
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.21
_cell_length_b   6.4
_cell_length_c   8.37
_cell_angle_alpha   90.0
_cell_angle_beta   95.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   LiVPCO7
_chemical_formula_sum   'Li2 V2 P2 C2 O14'
_cell_volume   277.79
_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  0.33  0.6  0.67  1.0
  V  V1  2  0.25  0.4  0.53  1.0
  P  P2  2  0.38  0.6  0.36  1.0
  C  C3  2  0.2  0.4  0.26  1.0
  O  O4  2  0.09  0.6  0.51  1.0
  O  O5  2  0.12  0.6  0.52  1.0
  O  O6  2  0.15  0.6  0.58  1.0
  O  O7  2  0.17  0.39  0.42  1.0
  O  O8  2  0.17  0.81  0.42  1.0
  O  O9  2  0.35  0.6  0.51  1.0
  O  O10  2  0.42  0.4  0.03  1.0

Li Li V V P P C C O O O O O O O O O O O O O O
Li Li V V P P C C O O O O O O O O O O O O O O 0 13 o o o 0 15 o o o 1 14 o o o 1 12 + o o 2 19 o o o 2 15 o o o 3 20 + o o 3 14 o o o 4 15 o o o 4 18 o + o 5 14 o o o 5 21 + o o 6 19 o o o 7 20 + o o 8 11 o o o 8 12 o o o 8 14 - o o 8 21 o o o 9 10 o o o 9 13 o o o 9 15 o o o 9 18 o + o 10 13 o o o 10 15 o o o 10 18 o + o 11 12 o o o 11 14 - o o 11 21 o o o 12 14 - o o 12 21 o o o 13 15 o o o 13 18 o + o 14 21 + o o 15 18 o + o 16 17 o o o 