data_Mg3Fe4O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.05
_cell_length_b   11.05
_cell_length_c   3.06
_cell_angle_alpha   97.42
_cell_angle_beta   97.42
_cell_angle_gamma   22.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg3Fe4O7
_chemical_formula_sum   'Mg3 Fe4 O7'
_cell_volume   143.15
_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  0.65  0.0  0.01  1.0
  Mg  Mg1  1  0.98  0.0  0.41  1.0
  Mg  Mg2  1  0.03  0.0  0.87  1.0
  Fe  Fe3  1  0.15  0.0  0.16  1.0
  Fe  Fe4  1  0.11  0.0  0.72  1.0
  Fe  Fe5  1  0.22  0.0  0.58  1.0
  Fe  Fe6  1  0.04  0.0  0.27  1.0
  O  O7  1  0.81  0.0  0.45  1.0
  O  O8  1  0.9  0.0  0.83  1.0
  O  O9  1  0.98  0.0  0.34  1.0
  O  O10  1  0.3  0.0  0.15  1.0
  O  O11  1  0.3  0.0  0.72  1.0
  O  O12  1  0.38  0.0  0.95  1.0
  O  O13  1  0.27  0.0  0.62  1.0

data_Mg3Fe4O7
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   4.36
_cell_length_c   11.05
_cell_angle_alpha   101.38
_cell_angle_beta   97.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg3Fe4O7
_chemical_formula_sum   'Mg3 Fe4 O7'
_cell_volume   143.15
_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  0.13  0.0  0.97  1.0
  Mg  Mg1  1  0.59  0.0  0.02  1.0
  Mg  Mg2  1  0.99  0.0  0.35  1.0
  Fe  Fe3  1  0.28  0.0  0.89  1.0
  Fe  Fe4  1  0.42  0.0  0.78  1.0
  Fe  Fe5  1  0.73  0.0  0.96  1.0
  Fe  Fe6  1  0.84  0.0  0.85  1.0
  O  O7  1  0.05  0.0  0.62  1.0
  O  O8  1  0.17  0.0  0.1  1.0
  O  O9  1  0.28  0.0  0.7  1.0
  O  O10  1  0.38  0.0  0.73  1.0
  O  O11  1  0.55  0.0  0.19  1.0
  O  O12  1  0.66  0.0  0.02  1.0
  O  O13  1  0.85  0.0  0.7  1.0

Mg Mg Mg Fe Fe Fe Fe O O O O O O O