data_Li2MnV4CoO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.94
_cell_length_b   6.94
_cell_length_c   5.76
_cell_angle_alpha   105.12
_cell_angle_beta   105.12
_cell_angle_gamma   83.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2MnV4CoO12
_chemical_formula_sum   'Li2 Mn1 V4 Co1 O12'
_cell_volume   258.62
_cell_formula_units_Z   1
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  0.19  0.36  0.0  1.0
  Li  Li1  1  0.18  0.66  0.7  1.0
  Mn  Mn2  1  0.19  0.18  0.0  1.0
  V  V3  1  0.98  0.97  0.8  1.0
  V  V4  1  0.05  0.14  0.12  1.0
  V  V5  1  0.39  0.97  0.6  1.0
  V  V6  1  0.32  0.14  0.28  1.0
  Co  Co7  1  0.18  0.83  0.7  1.0
  O  O8  1  0.31  0.84  0.16  1.0
  O  O9  1  0.72  0.48  0.19  1.0
  O  O10  1  0.4  0.13  0.88  1.0
  O  O11  1  0.1  0.94  0.68  1.0
  O  O12  1  0.64  0.48  0.21  1.0
  O  O13  1  0.11  0.95  0.38  1.0
  O  O14  1  0.27  0.94  0.72  1.0
  O  O15  1  0.6  0.54  0.4  1.0
  O  O16  1  0.26  0.95  0.01  1.0
  O  O17  1  0.06  0.84  0.23  1.0
  O  O18  1  0.77  0.54  0.99  1.0
  O  O19  1  0.97  0.13  0.52  1.0

data_Li2MnV4CoO12
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.76
_cell_length_b   6.94
_cell_length_c   6.94
_cell_angle_alpha   83.31
_cell_angle_beta   74.88
_cell_angle_gamma   74.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2MnV4CoO12
_chemical_formula_sum   'Li2 Mn1 V4 Co1 O12'
_cell_volume   258.62
_cell_formula_units_Z   1
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  0.81  0.64  1.0
  Li  Li1  1  0.7  0.82  0.34  1.0
  Mn  Mn2  1  0.0  0.81  0.82  1.0
  V  V3  1  0.12  0.95  0.86  1.0
  V  V4  1  0.28  0.68  0.86  1.0
  V  V5  1  0.6  0.61  0.03  1.0
  V  V6  1  0.8  0.02  0.03  1.0
  Co  Co7  1  0.7  0.82  0.17  1.0
  O  O8  1  0.01  0.74  0.05  1.0
  O  O9  1  0.16  0.69  0.16  1.0
  O  O10  1  0.19  0.28  0.52  1.0
  O  O11  1  0.21  0.36  0.52  1.0
  O  O12  1  0.23  0.94  0.16  1.0
  O  O13  1  0.38  0.89  0.05  1.0
  O  O14  1  0.4  0.4  0.46  1.0
  O  O15  1  0.52  0.03  0.87  1.0
  O  O16  1  0.68  0.9  0.06  1.0
  O  O17  1  0.72  0.73  0.06  1.0
  O  O18  1  0.88  0.6  0.87  1.0
  O  O19  1  0.99  0.23  0.46  1.0

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