data_Ge3Sb2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.21
_cell_length_b   7.21
_cell_length_c   25.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge3Sb2O9
_chemical_formula_sum   'Ge3 Sb2 O9'
_cell_volume   1129.98
_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
  Ge  Ge0  1  0.22  0.93  0.9  1.0
  Ge  Ge1  1  0.72  0.78  0.9  1.0
  Ge  Ge2  1  0.07  0.28  0.9  1.0
  Sb  Sb3  1  0.33  0.67  1.0  1.0
  Sb  Sb4  1  0.33  0.67  0.8  1.0
  O  O5  1  0.34  0.91  0.96  1.0
  O  O6  1  0.34  0.91  0.84  1.0
  O  O7  1  0.94  0.74  0.9  1.0
  O  O8  1  0.26  0.2  0.9  1.0
  O  O9  1  0.57  0.66  0.96  1.0
  O  O10  1  0.09  0.43  0.96  1.0
  O  O11  1  0.09  0.43  0.84  1.0
  O  O12  1  0.57  0.66  0.84  1.0
  O  O13  1  0.8  0.06  0.9  1.0

Ge Ge Ge Sb Sb O O O O O O O O O 0 7 - o o 0 8 o + o 0 6 o o o 0 5 o o o 1 12 o o o 1 9 o o o 1 13 o + o 1 7 o o o 2 13 - o o 2 11 o o o 2 10 o o o 2 8 o o o 3 10 o o o 3 5 o o o 3 9 o o o 4 11 o o o 4 6 o o o 4 12 o o o 
data_Ge3Sb2O9
_symmetry_space_group_name_H-M   P-6
_cell_length_a   7.21
_cell_length_b   7.21
_cell_length_c   25.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   174
_chemical_formula_structural   Ge3Sb2O9
_chemical_formula_sum   'Ge3 Sb2 O9'
_cell_volume   1129.98
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x+y, -x, -z'
  3  '-y, x-y, z'
  4  'x, y, -z'
  5  '-x+y, -x, z'
  6  '-y, 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
  Ge  Ge0  3  0.07  0.28  0.5  1.0
  Sb  Sb1  2  0.33  0.67  0.6  1.0
  O  O2  6  0.09  0.43  0.44  1.0
  O  O3  3  0.26  0.2  0.5  1.0
