data_Mg2Ni9O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   16.2
_cell_angle_alpha   98.6
_cell_angle_beta   98.6
_cell_angle_gamma   33.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2Ni9O13
_chemical_formula_sum   'Mg2 Ni9 O13'
_cell_volume   228.43
_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
  Mg  Mg0  1  0.54  0.0  0.66  1.0
  Mg  Mg1  1  0.71  0.0  0.34  1.0
  Ni  Ni2  1  0.63  0.0  1.0  1.0
  Ni  Ni3  1  0.23  0.0  0.66  1.0
  Ni  Ni4  1  0.02  0.0  0.34  1.0
  Ni  Ni5  1  0.29  0.0  0.69  1.0
  Ni  Ni6  1  0.96  0.0  0.31  1.0
  Ni  Ni7  1  0.86  0.0  0.99  1.0
  Ni  Ni8  1  0.39  0.0  0.01  1.0
  Ni  Ni9  1  0.9  0.0  0.33  1.0
  Ni  Ni10  1  0.35  0.0  0.67  1.0
  O  O11  1  0.0  0.0  0.0  1.0
  O  O12  1  0.87  0.0  0.66  1.0
  O  O13  1  0.38  0.0  0.34  1.0
  O  O14  1  0.71  0.0  0.14  1.0
  O  O15  1  0.54  0.0  0.85  1.0
  O  O16  1  0.35  0.0  0.37  1.0
  O  O17  1  0.9  0.0  0.62  1.0
  O  O18  1  0.39  0.0  0.95  1.0
  O  O19  1  0.86  0.0  0.05  1.0
  O  O20  1  0.77  0.0  0.2  1.0
  O  O21  1  0.48  0.0  0.8  1.0
  O  O22  1  0.09  0.0  0.4  1.0
  O  O23  1  0.16  0.0  0.6  1.0

data_Mg2Ni9O13
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   5.1
_cell_length_c   16.2
_cell_angle_alpha   98.6
_cell_angle_beta   90.0
_cell_angle_gamma   106.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2Ni9O13
_chemical_formula_sum   'Mg2 Ni9 O13'
_cell_volume   228.43
_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
  Mg  Mg0  1  0.0  0.29  0.66  1.0
  Mg  Mg1  1  0.0  0.46  0.34  1.0
  Ni  Ni2  1  0.0  0.04  0.69  1.0
  Ni  Ni3  1  0.0  0.1  0.67  1.0
  Ni  Ni4  1  0.0  0.14  0.01  1.0
  Ni  Ni5  1  0.0  0.37  0.0  1.0
  Ni  Ni6  1  0.0  0.61  0.99  1.0
  Ni  Ni7  1  0.0  0.65  0.33  1.0
  Ni  Ni8  1  0.0  0.71  0.31  1.0
  Ni  Ni9  1  0.0  0.77  0.34  1.0
  Ni  Ni10  1  0.0  0.98  0.66  1.0
  O  O11  1  0.0  0.0  0.0  1.0
  O  O12  1  0.0  0.1  0.38  1.0
  O  O13  1  0.0  0.13  0.34  1.0
  O  O14  1  0.0  0.14  0.95  1.0
  O  O15  1  0.0  0.23  0.8  1.0
  O  O16  1  0.0  0.29  0.86  1.0
  O  O17  1  0.0  0.46  0.15  1.0
  O  O18  1  0.0  0.52  0.2  1.0
  O  O19  1  0.0  0.61  0.05  1.0
  O  O20  1  0.0  0.62  0.66  1.0
  O  O21  1  0.0  0.65  0.63  1.0
  O  O22  1  0.0  0.84  0.4  1.0
  O  O23  1  0.0  0.91  0.6  1.0

Mg Mg Ni Ni Ni Ni Ni Ni Ni Ni Ni O O O O O O O O O O O O O