data_SrGeBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.74
_cell_length_b   10.74
_cell_length_c   10.74
_cell_angle_alpha   22.18
_cell_angle_beta   22.18
_cell_angle_gamma   22.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrGeBr2
_chemical_formula_sum   'Sr1 Ge1 Br2'
_cell_volume   154.84
_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
  Sr  Sr3  1  0.0  0.0  0.71  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Br  Br0  1  0.0  0.0  0.34  1.0
  Br  Br1  1  0.0  0.0  0.08  1.0

data_SrGeBr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.16
_cell_length_b   4.13
_cell_length_c   10.74
_cell_angle_alpha   90.0
_cell_angle_beta   102.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrGeBr2
_chemical_formula_sum   'Sr2 Ge2 Br4'
_cell_volume   309.68
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Sr  Sr0  2  0.0  0.0  0.29  1.0
  Ge  Ge1  2  0.0  0.0  0.0  1.0
  Br  Br2  2  0.0  0.0  0.66  1.0
  Br  Br3  2  0.0  0.0  0.92  1.0

Sr Ge Br Br
Sr Ge Br Br 0 0 o + - 0 0 + - o 0 0 + o - 0 2 o o o 0 3 o o + 0 1 o o + 1 3 o o o 2 3 o o o 