data_Ge2PPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   4.79
_cell_angle_alpha   102.42
_cell_angle_beta   102.42
_cell_angle_gamma   44.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2PPt
_chemical_formula_sum   'Ge2 P1 Pt1'
_cell_volume   68.57
_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  0.17  0.0  0.23  1.0
  Ge  Ge1  1  0.19  0.0  0.43  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.68  0.0  0.33  1.0

data_Ge2PPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.47
_cell_length_b   4.58
_cell_length_c   4.79
_cell_angle_alpha   102.42
_cell_angle_beta   90.0
_cell_angle_gamma   112.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2PPt
_chemical_formula_sum   'Ge2 P1 Pt1'
_cell_volume   68.57
_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  0.81  0.57  1.0
  Ge  Ge1  1  0.0  0.83  0.77  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.0  0.32  0.67  1.0

Ge Ge P Pt
Ge Ge P Pt 0 1 o o o 0 2 o o o 0 3 o o o 0 3 - o o 1 3 o o o 1 3 - o o 2 3 - o o 