data_GeSbPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.96
_cell_length_b   3.96
_cell_length_c   6.24
_cell_angle_alpha   105.7
_cell_angle_beta   105.7
_cell_angle_gamma   56.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeSbPt2
_chemical_formula_sum   'Ge1 Sb1 Pt2'
_cell_volume   77.34
_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  0.0  0.0  1.0
  Sb  Sb3  1  0.53  0.0  0.97  1.0
  Pt  Pt1  1  0.29  0.0  0.69  1.0
  Pt  Pt2  1  0.78  0.0  0.25  1.0

data_GeSbPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.73
_cell_length_b   3.96
_cell_length_c   6.24
_cell_angle_alpha   105.7
_cell_angle_beta   90.0
_cell_angle_gamma   118.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeSbPt2
_chemical_formula_sum   'Ge1 Sb1 Pt2'
_cell_volume   77.34
_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  0.0  0.0  1.0
  Sb  Sb1  1  0.0  0.47  0.03  1.0
  Pt  Pt2  1  0.0  0.22  0.75  1.0
  Pt  Pt3  1  0.0  0.71  0.31  1.0

Ge Sb Pt Pt