data_FeGeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.68
_cell_length_b   6.68
_cell_length_c   5.2
_cell_angle_alpha   98.25
_cell_angle_beta   98.25
_cell_angle_gamma   85.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeGeO3
_chemical_formula_sum   'Fe4 Ge4 O12'
_cell_volume   227.06
_cell_formula_units_Z   4
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
  Fe  Fe0  1  0.63  0.73  0.28  1.0
  Fe  Fe1  1  0.12  0.07  0.83  1.0
  Fe  Fe2  1  0.63  0.93  0.28  1.0
  Fe  Fe3  1  0.12  0.27  0.83  1.0
  Ge  Ge4  1  0.72  0.85  0.1  1.0
  Ge  Ge5  1  0.21  0.15  0.65  1.0
  Ge  Ge6  1  0.55  0.85  0.45  1.0
  Ge  Ge7  1  0.04  0.15  1.0  1.0
  O  O8  1  0.01  0.82  0.71  1.0
  O  O9  1  0.35  0.22  0.95  1.0
  O  O10  1  0.5  0.18  0.26  1.0
  O  O11  1  0.6  0.62  0.65  1.0
  O  O12  1  0.92  0.22  0.6  1.0
  O  O13  1  0.11  0.38  0.1  1.0
  O  O14  1  0.65  0.62  0.0  1.0
  O  O15  1  0.84  0.78  0.5  1.0
  O  O16  1  0.16  0.38  0.45  1.0
  O  O17  1  0.25  0.82  0.84  1.0
  O  O18  1  0.41  0.78  0.15  1.0
  O  O19  1  0.74  0.18  0.39  1.0

data_FeGeO3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.2
_cell_length_b   6.68
_cell_length_c   6.68
_cell_angle_alpha   85.95
_cell_angle_beta   81.75
_cell_angle_gamma   81.75
_symmetry_Int_Tables_number   2
_chemical_formula_structural   FeGeO3
_chemical_formula_sum   'Fe4 Ge4 O12'
_cell_volume   227.06
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Fe  Fe0  2  0.22  0.25  0.07  1.0
  Fe  Fe1  2  0.22  0.25  0.27  1.0
  Ge  Ge2  2  0.05  0.16  0.15  1.0
  Ge  Ge3  2  0.4  0.33  0.15  1.0
  O  O4  2  0.05  0.77  0.62  1.0
  O  O5  2  0.1  0.47  0.22  1.0
  O  O6  2  0.21  0.37  0.82  1.0
  O  O7  2  0.34  0.13  0.82  1.0
  O  O8  2  0.4  0.72  0.62  1.0
  O  O9  2  0.45  0.04  0.22  1.0

Fe Fe Fe Fe Ge Ge Ge Ge O O O O O O O O O O O O
Fe Fe Fe Fe Ge Ge Ge Ge O O O O O O O O O O O O 0 18 o o o 0 6 o o o 0 14 o o o 0 4 o o o 0 2 o o o 0 11 o o o 0 15 o o o 1 7 o o o 1 5 o o o 1 3 o o o 1 9 o o o 1 17 o - o 2 6 o o o 2 4 o o o 2 10 o + o 2 18 o o o 3 7 o o o 3 13 o o + 3 5 o o o 3 9 o o o 3 12 - o o 3 16 o o o 4 14 o o o 5 9 o o o 5 16 o o o 6 11 o o o 6 18 o o o 7 13 o o + 8 15 - o o 8 17 o o o 9 10 o o + 10 19 o o o 11 15 o o o 11 14 o o + 12 19 o o o 12 16 + o o 13 16 o o o 17 18 o o + 