data_Ge2PtBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.06
_cell_length_b   4.06
_cell_length_c   7.45
_cell_angle_alpha   104.55
_cell_angle_beta   104.55
_cell_angle_gamma   59.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2PtBr
_chemical_formula_sum   'Ge2 Pt1 Br1'
_cell_volume   101.87
_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  0.1  0.0  0.59  1.0
  Ge  Ge2  1  0.79  0.0  0.55  1.0
  Pt  Pt3  1  0.44  0.0  0.57  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_Ge2PtBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.06
_cell_length_b   4.06
_cell_length_c   7.45
_cell_angle_alpha   104.55
_cell_angle_beta   90.0
_cell_angle_gamma   119.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2PtBr
_chemical_formula_sum   'Ge2 Pt1 Br1'
_cell_volume   101.87
_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  0.21  0.45  1.0
  Ge  Ge1  1  0.0  0.9  0.41  1.0
  Pt  Pt2  1  0.0  0.56  0.43  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Ge Ge Pt Br