data_GeSbPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   5.34
_cell_angle_alpha   97.49
_cell_angle_beta   97.49
_cell_angle_gamma   47.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeSbPt2
_chemical_formula_sum   'Ge1 Sb1 Pt2'
_cell_volume   79.67
_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  0.89  0.0  0.49  1.0
  Sb  Sb3  1  0.9  0.0  0.81  1.0
  Pt  Pt1  1  0.02  0.0  0.59  1.0
  Pt  Pt2  1  0.48  0.0  0.04  1.0

data_GeSbPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.64
_cell_length_b   4.53
_cell_length_c   5.34
_cell_angle_alpha   97.49
_cell_angle_beta   90.0
_cell_angle_gamma   113.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeSbPt2
_chemical_formula_sum   'Ge1 Sb1 Pt2'
_cell_volume   79.67
_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  0.11  0.51  1.0
  Sb  Sb1  1  0.0  0.1  0.19  1.0
  Pt  Pt2  1  0.0  0.52  0.96  1.0
  Pt  Pt3  1  0.0  0.98  0.41  1.0

Ge Sb Pt Pt
Ge Sb Pt Pt 0 2 + o o 0 3 o o o 1 2 + o o 1 3 + o + 1 3 o o + 2 3 o o + 