data_Mg(FeO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   9.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   146.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg(FeO2)2
_chemical_formula_sum   'Mg2 Fe4 O8'
_cell_volume   142.48
_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  0.47  0.22  0.47  1.0
  Mg  Mg1  1  0.47  0.78  0.49  1.0
  Fe  Fe2  1  0.47  0.71  0.73  1.0
  Fe  Fe3  1  0.47  0.29  0.74  1.0
  Fe  Fe4  1  0.47  0.29  0.24  1.0
  Fe  Fe5  1  0.47  0.71  0.22  1.0
  O  O6  1  0.47  0.23  0.82  1.0
  O  O7  1  0.47  0.77  0.15  1.0
  O  O8  1  0.0  0.0  0.0  1.0
  O  O9  1  0.47  0.23  0.13  1.0
  O  O10  1  0.47  0.35  0.49  1.0
  O  O11  1  0.0  0.0  0.98  1.0
  O  O12  1  0.47  0.65  0.47  1.0
  O  O13  1  0.47  0.77  0.83  1.0

data_Mg(FeO2)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   5.09
_cell_length_c   9.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg(FeO2)2
_chemical_formula_sum   'Mg2 Fe4 O8'
_cell_volume   142.48
_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  0.22  0.69  0.49  1.0
  Mg  Mg1  1  0.78  0.24  0.47  1.0
  Fe  Fe2  1  0.29  0.75  0.22  1.0
  Fe  Fe3  1  0.29  0.75  0.73  1.0
  Fe  Fe4  1  0.71  0.18  0.24  1.0
  Fe  Fe5  1  0.71  0.18  0.74  1.0
  O  O6  1  0.0  0.0  0.0  1.0
  O  O7  1  0.0  0.0  0.98  1.0
  O  O8  1  0.23  0.69  0.15  1.0
  O  O9  1  0.23  0.69  0.83  1.0
  O  O10  1  0.35  0.81  0.47  1.0
  O  O11  1  0.65  0.12  0.49  1.0
  O  O12  1  0.77  0.24  0.13  1.0
  O  O13  1  0.77  0.24  0.82  1.0

Mg Mg Fe Fe Fe Fe O O O O O O O O
Mg Mg Fe Fe Fe Fe O O O O O O O O 0 10 o o o 1 12 o o o 2 13 o o o 3 6 o o o 4 9 o o o 5 7 o o o 8 11 o o - 