data_Mg14AlNiO16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.51
_cell_length_b   8.51
_cell_length_c   4.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg14AlNiO16
_chemical_formula_sum   'Mg14 Al1 Ni1 O16'
_cell_volume   304.28
_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  0.25  0.1  1.0
  Mg  Mg1  1  0.25  0.0  0.1  1.0
  Mg  Mg2  1  0.0  0.15  0.0  1.0
  Mg  Mg3  1  0.0  0.36  0.0  1.0
  Mg  Mg4  1  0.25  0.17  0.0  1.0
  Mg  Mg5  1  0.25  0.33  0.0  1.0
  Mg  Mg6  1  0.15  0.0  0.0  1.0
  Mg  Mg7  1  0.17  0.25  0.0  1.0
  Mg  Mg8  1  0.36  0.0  0.0  1.0
  Mg  Mg9  1  0.33  0.25  0.0  1.0
  Mg  Mg10  1  0.18  0.18  0.1  1.0
  Mg  Mg11  1  0.18  0.33  0.1  1.0
  Mg  Mg12  1  0.33  0.18  0.1  1.0
  Mg  Mg13  1  0.33  0.33  0.1  1.0
  Al  Al14  1  0.0  0.0  0.1  1.0
  Ni  Ni15  1  0.25  0.25  0.1  1.0
  O  O16  1  0.96  0.0  0.1  1.0
  O  O17  1  0.98  0.25  0.1  1.0
  O  O18  1  0.55  0.0  0.1  1.0
  O  O19  1  0.52  0.25  0.1  1.0
  O  O20  1  0.12  0.12  0.0  1.0
  O  O21  1  0.12  0.39  0.0  1.0
  O  O22  1  0.39  0.12  0.0  1.0
  O  O23  1  0.39  0.39  0.0  1.0
  O  O24  1  0.0  0.0  0.0  1.0
  O  O25  1  0.0  0.25  0.0  1.0
  O  O26  1  0.25  0.0  0.0  1.0
  O  O27  1  0.25  0.25  0.0  1.0
  O  O28  1  0.0  0.96  0.1  1.0
  O  O29  1  0.0  0.55  0.1  1.0
  O  O30  1  0.25  0.98  0.1  1.0
  O  O31  1  0.25  0.52  0.1  1.0

data_Mg14AlNiO16
_symmetry_space_group_name_H-M   Cm
_cell_length_a   12.03
_cell_length_b   12.03
_cell_length_c   4.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mg14AlNiO16
_chemical_formula_sum   'Mg28 Al2 Ni2 O32'
_cell_volume   608.55
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.07  0.07  0.0  1.0
  Mg  Mg1  4  0.13  0.13  0.1  1.0
  Mg  Mg2  4  0.18  0.18  0.0  1.0
  Mg  Mg3  4  0.21  0.04  0.0  1.0
  Mg  Mg4  4  0.25  0.08  0.1  1.0
  Mg  Mg5  4  0.29  0.04  0.0  1.0
  Mg  Mg6  2  0.18  0.0  0.1  1.0
  Mg  Mg7  2  0.33  0.0  0.1  1.0
  Al  Al8  2  0.0  0.0  0.1  1.0
  Ni  Ni9  2  0.25  0.0  0.1  1.0
  O  O10  4  0.12  0.14  0.1  1.0
  O  O11  4  0.13  0.13  0.0  1.0
  O  O12  4  0.25  0.13  0.0  1.0
  O  O13  4  0.27  0.27  0.1  1.0
  O  O14  4  0.39  0.14  0.1  1.0
  O  O15  4  0.48  0.48  0.1  1.0
  O  O16  2  0.0  0.0  0.0  1.0
  O  O17  2  0.12  0.0  0.0  1.0
  O  O18  2  0.25  0.0  0.0  1.0
  O  O19  2  0.39  0.0  0.0  1.0

Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Al Ni O O O O O O O O O O O O O O O O