data_MnV4CoO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.84
_cell_length_b   6.84
_cell_length_c   5.88
_cell_angle_alpha   105.19
_cell_angle_beta   105.19
_cell_angle_gamma   84.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnV4CoO12
_chemical_formula_sum   'Mn1 V4 Co1 O12'
_cell_volume   256.11
_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
  Mn  Mn0  1  0.08  0.2  0.0  1.0
  V  V1  1  0.95  0.85  0.85  1.0
  V  V2  1  0.99  0.17  0.07  1.0
  V  V3  1  0.12  0.85  0.66  1.0
  V  V4  1  0.09  0.17  0.43  1.0
  Co  Co5  1  0.04  0.77  0.75  1.0
  O  O6  1  0.36  0.74  0.21  1.0
  O  O7  1  0.49  0.43  0.99  1.0
  O  O8  1  0.35  0.25  0.89  1.0
  O  O9  1  0.01  0.98  0.68  1.0
  O  O10  1  0.58  0.43  0.52  1.0
  O  O11  1  0.01  0.02  0.44  1.0
  O  O12  1  0.07  0.98  0.83  1.0
  O  O13  1  0.49  0.58  0.23  1.0
  O  O14  1  0.07  0.02  0.07  1.0
  O  O15  1  0.72  0.74  0.29  1.0
  O  O16  1  0.59  0.58  0.27  1.0
  O  O17  1  0.73  0.25  0.61  1.0

data_MnV4CoO12
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.88
_cell_length_b   6.84
_cell_length_c   6.84
_cell_angle_alpha   84.13
_cell_angle_beta   74.81
_cell_angle_gamma   74.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnV4CoO12
_chemical_formula_sum   'Mn1 V4 Co1 O12'
_cell_volume   256.11
_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
  Mn  Mn0  1  0.0  0.92  0.8  1.0
  V  V1  1  0.07  0.01  0.83  1.0
  V  V2  1  0.43  0.91  0.83  1.0
  V  V3  1  0.66  0.88  0.15  1.0
  V  V4  1  0.85  0.05  0.15  1.0
  Co  Co5  1  0.75  0.96  0.23  1.0
  O  O6  1  0.07  0.93  0.98  1.0
  O  O7  1  0.21  0.64  0.26  1.0
  O  O8  1  0.23  0.51  0.42  1.0
  O  O9  1  0.27  0.41  0.42  1.0
  O  O10  1  0.29  0.28  0.26  1.0
  O  O11  1  0.44  0.99  0.98  1.0
  O  O12  1  0.52  0.42  0.57  1.0
  O  O13  1  0.61  0.27  0.75  1.0
  O  O14  1  0.68  0.99  0.02  1.0
  O  O15  1  0.83  0.93  0.02  1.0
  O  O16  1  0.89  0.65  0.75  1.0
  O  O17  1  0.99  0.51  0.57  1.0

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