data_SrGe2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.61
_cell_length_b   3.61
_cell_length_c   8.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrGe2Br
_chemical_formula_sum   'Sr1 Ge2 Br1'
_cell_volume   109.23
_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  0.49  0.0  0.22  1.0
  Ge  Ge1  1  0.49  0.0  0.76  1.0
  Ge  Ge2  1  0.0  0.0  0.52  1.0
  Br  Br0  1  0.0  0.0  0.47  1.0

data_SrGe2Br
_symmetry_space_group_name_H-M   P2
_cell_length_a   3.61
_cell_length_b   8.39
_cell_length_c   3.61
_cell_angle_alpha   90.0
_cell_angle_beta   92.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   SrGe2Br
_chemical_formula_sum   'Sr1 Ge2 Br1'
_cell_volume   109.23
_cell_formula_units_Z   1
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
  Sr  Sr0  1  0.0  0.78  0.0  1.0
  Ge  Ge1  1  0.0  0.24  0.0  1.0
  Ge  Ge2  1  0.5  0.48  0.0  1.0
  Br  Br3  1  0.5  0.53  0.0  1.0

Sr Ge Ge Br