data_Ge2PtBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.67
_cell_length_b   7.67
_cell_length_c   7.67
_cell_angle_alpha   153.65
_cell_angle_beta   153.29
_cell_angle_gamma   37.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2PtBr
_chemical_formula_sum   'Ge2 Pt1 Br1'
_cell_volume   89.73
_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  Ge1  1  0.75  0.0  0.23  1.0
  Ge  Ge2  1  0.0  0.0  0.7  1.0
  Pt  Pt3  1  0.75  0.0  0.6  1.0
  Br  Br0  1  0.0  0.0  0.22  1.0

data_Ge2PtBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   3.54
_cell_length_c   7.67
_cell_angle_alpha   103.36
_cell_angle_beta   103.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2PtBr
_chemical_formula_sum   'Ge2 Pt1 Br1'
_cell_volume   89.73
_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  0.0  0.23  0.48  1.0
  Ge  Ge1  1  0.0  0.7  0.7  1.0
  Pt  Pt2  1  0.0  0.6  0.85  1.0
  Br  Br3  1  0.0  0.22  0.22  1.0

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