data_Mg2VIrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.28
_cell_length_c   9.04
_cell_angle_alpha   90.0
_cell_angle_beta   124.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2VIrO6
_chemical_formula_sum   'Mg4 V2 Ir2 O12'
_cell_volume   201.56
_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
  Mg  Mg0  1  0.95  0.31  0.87  1.0
  Mg  Mg1  1  0.62  0.95  0.87  1.0
  Mg  Mg2  1  0.4  0.33  0.6  1.0
  Mg  Mg3  1  0.08  0.97  0.6  1.0
  V  V4  1  0.0  0.0  0.0  1.0
  V  V5  1  0.46  0.64  0.73  1.0
  Ir  Ir6  1  0.01  0.0  0.73  1.0
  Ir  Ir7  1  0.56  0.64  0.0  1.0
  O  O8  1  0.33  0.97  0.66  1.0
  O  O9  1  0.24  0.66  0.52  1.0
  O  O10  1  0.03  0.57  0.24  1.0
  O  O11  1  0.54  0.94  0.49  1.0
  O  O12  1  0.33  0.02  0.22  1.0
  O  O13  1  0.15  0.33  0.55  1.0
  O  O14  1  0.88  0.95  0.92  1.0
  O  O15  1  0.7  0.25  0.25  1.0
  O  O16  1  0.49  0.34  0.98  1.0
  O  O17  1  0.78  0.62  0.95  1.0
  O  O18  1  0.99  0.7  0.23  1.0
  O  O19  1  0.69  0.31  0.81  1.0

data_Mg2VIrO6
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.12
_cell_length_b   5.28
_cell_length_c   7.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2VIrO6
_chemical_formula_sum   'Mg4 V2 Ir2 O12'
_cell_volume   201.56
_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
  Mg  Mg0  1  0.08  0.69  0.13  1.0
  Mg  Mg1  1  0.48  0.03  0.4  1.0
  Mg  Mg2  1  0.76  0.05  0.13  1.0
  Mg  Mg3  1  0.8  0.67  0.4  1.0
  V  V4  1  0.0  0.0  0.0  1.0
  V  V5  1  0.72  0.36  0.27  1.0
  Ir  Ir6  1  0.28  0.0  0.27  1.0
  Ir  Ir7  1  0.56  0.36  0.0  1.0
  O  O8  1  0.05  0.06  0.51  1.0
  O  O9  1  0.11  0.98  0.78  1.0
  O  O10  1  0.45  0.75  0.75  1.0
  O  O11  1  0.51  0.66  0.02  1.0
  O  O12  1  0.6  0.67  0.45  1.0
  O  O13  1  0.68  0.03  0.34  1.0
  O  O14  1  0.73  0.34  0.48  1.0
  O  O15  1  0.77  0.3  0.77  1.0
  O  O16  1  0.79  0.43  0.76  1.0
  O  O17  1  0.83  0.38  0.05  1.0
  O  O18  1  0.88  0.69  0.19  1.0
  O  O19  1  0.96  0.05  0.08  1.0

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