data_MgGeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.64
_cell_length_b   6.64
_cell_length_c   5.23
_cell_angle_alpha   98.09
_cell_angle_beta   98.09
_cell_angle_gamma   85.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgGeO3
_chemical_formula_sum   'Mg4 Ge4 O12'
_cell_volume   225.87
_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
  Mg  Mg0  1  0.61  0.15  0.28  1.0
  Mg  Mg1  1  0.11  0.85  0.85  1.0
  Mg  Mg2  1  0.61  0.45  0.28  1.0
  Mg  Mg3  1  0.11  0.55  0.85  1.0
  Ge  Ge4  1  0.56  0.86  0.08  1.0
  Ge  Ge5  1  0.66  0.86  0.48  1.0
  Ge  Ge6  1  0.15  0.14  0.05  1.0
  Ge  Ge7  1  0.06  0.14  0.65  1.0
  O  O8  1  0.85  0.82  0.68  1.0
  O  O9  1  0.37  0.82  0.89  1.0
  O  O10  1  0.87  0.18  0.46  1.0
  O  O11  1  0.35  0.18  0.24  1.0
  O  O12  1  0.34  0.67  0.96  1.0
  O  O13  1  0.88  0.67  0.61  1.0
  O  O14  1  0.37  0.33  0.17  1.0
  O  O15  1  0.84  0.33  0.53  1.0
  O  O16  1  0.46  0.63  0.63  1.0
  O  O17  1  0.76  0.63  0.06  1.0
  O  O18  1  0.26  0.37  0.5  1.0
  O  O19  1  0.96  0.37  0.07  1.0

data_MgGeO3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.23
_cell_length_b   6.64
_cell_length_c   6.64
_cell_angle_alpha   85.95
_cell_angle_beta   81.91
_cell_angle_gamma   81.91
_symmetry_Int_Tables_number   2
_chemical_formula_structural   MgGeO3
_chemical_formula_sum   'Mg4 Ge4 O12'
_cell_volume   225.87
_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
  Mg  Mg0  2  0.22  0.25  0.55  1.0
  Mg  Mg1  2  0.22  0.25  0.85  1.0
  Ge  Ge2  2  0.02  0.3  0.14  1.0
  Ge  Ge3  2  0.42  0.2  0.14  1.0
  O  O4  2  0.0  0.9  0.63  1.0
  O  O5  2  0.11  0.48  0.67  1.0
  O  O6  2  0.18  0.51  0.82  1.0
  O  O7  2  0.39  0.99  0.82  1.0
  O  O8  2  0.43  0.6  0.63  1.0
  O  O9  2  0.46  0.02  0.67  1.0

Mg Mg Mg Mg Ge Ge Ge Ge O O O O O O O O O O O O