data_Mg14MnFeO16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.57
_cell_length_b   8.57
_cell_length_c   4.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg14MnFeO16
_chemical_formula_sum   'Mg14 Mn1 Fe1 O16'
_cell_volume   314.85
_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  0.28  0.15  1.0
  Mg  Mg1  1  0.28  0.0  0.15  1.0
  Mg  Mg2  1  0.0  0.15  0.0  1.0
  Mg  Mg3  1  0.0  0.42  0.0  1.0
  Mg  Mg4  1  0.28  0.13  0.0  1.0
  Mg  Mg5  1  0.28  0.43  0.0  1.0
  Mg  Mg6  1  0.15  0.0  0.0  1.0
  Mg  Mg7  1  0.13  0.28  0.0  1.0
  Mg  Mg8  1  0.42  0.0  0.0  1.0
  Mg  Mg9  1  0.43  0.28  0.0  1.0
  Mg  Mg10  1  0.14  0.14  0.15  1.0
  Mg  Mg11  1  0.14  0.42  0.15  1.0
  Mg  Mg12  1  0.42  0.14  0.15  1.0
  Mg  Mg13  1  0.42  0.42  0.15  1.0
  Mn  Mn14  1  0.0  0.0  0.15  1.0
  Fe  Fe15  1  0.28  0.28  0.15  1.0
  O  O16  1  0.18  0.0  0.15  1.0
  O  O17  1  0.1  0.28  0.15  1.0
  O  O18  1  0.38  0.0  0.15  1.0
  O  O19  1  0.46  0.28  0.15  1.0
  O  O20  1  0.14  0.14  0.0  1.0
  O  O21  1  0.14  0.42  0.0  1.0
  O  O22  1  0.42  0.14  0.0  1.0
  O  O23  1  0.42  0.42  0.0  1.0
  O  O24  1  0.0  0.0  0.0  1.0
  O  O25  1  0.0  0.28  0.0  1.0
  O  O26  1  0.28  0.0  0.0  1.0
  O  O27  1  0.28  0.28  0.0  1.0
  O  O28  1  0.0  0.18  0.15  1.0
  O  O29  1  0.0  0.38  0.15  1.0
  O  O30  1  0.28  0.1  0.15  1.0
  O  O31  1  0.28  0.46  0.15  1.0

data_Mg14MnFeO16
_symmetry_space_group_name_H-M   Cm
_cell_length_a   12.11
_cell_length_b   12.11
_cell_length_c   4.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mg14MnFeO16
_chemical_formula_sum   'Mg28 Mn2 Fe2 O32'
_cell_volume   629.71
_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  0.14  0.14  0.15  1.0
  Mg  Mg2  4  0.21  0.08  -0.0  1.0
  Mg  Mg3  4  0.21  0.21  -0.0  1.0
  Mg  Mg4  4  0.28  0.14  0.15  1.0
  Mg  Mg5  4  0.36  0.08  -0.0  1.0
  Mg  Mg6  2  0.14  0.0  0.15  1.0
  Mg  Mg7  2  0.42  0.0  0.15  1.0
  Mn  Mn8  2  0.0  0.0  0.15  1.0
  Fe  Fe9  2  0.28  0.0  0.15  1.0
  O  O10  4  0.09  0.09  0.15  1.0
  O  O11  4  0.14  0.14  -0.0  1.0
  O  O12  4  0.19  0.19  0.15  1.0
  O  O13  4  0.19  0.09  0.15  1.0
  O  O14  4  0.28  0.14  -0.0  1.0
  O  O15  4  0.37  0.09  0.15  1.0
  O  O16  2  0.0  0.0  0.0  1.0
  O  O17  2  0.14  0.0  -0.0  1.0
  O  O18  2  0.28  0.0  -0.0  1.0
  O  O19  2  0.42  0.0  -0.0  1.0

Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mn Fe O O O O O O O O O O O O O O O O
Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mn Fe O O O O O O O O O O O O O O O O 0 25 o o o 1 26 o o o 2 28 o o o 3 29 o o o 4 30 o o o 5 31 o o o 6 16 o o o 7 17 o o o 8 18 o o o 9 19 o o o 10 20 o o o 11 21 o o o 12 22 o o o 13 23 o o o 14 24 o o o 15 27 o o o 