data_Ge2PPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.73
_cell_length_b   5.73
_cell_length_c   5.73
_cell_angle_alpha   135.47
_cell_angle_beta   135.47
_cell_angle_gamma   64.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2PPt2
_chemical_formula_sum   'Ge2 P1 Pt2'
_cell_volume   91.15
_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  0.02  1.0
  Ge  Ge1  1  0.0  0.0  0.65  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.0  0.17  0.42  1.0
  Pt  Pt4  1  0.17  0.0  0.42  1.0

data_Ge2PPt2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.14
_cell_length_b   6.14
_cell_length_c   5.73
_cell_angle_alpha   90.0
_cell_angle_beta   122.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ge2PPt2
_chemical_formula_sum   'Ge4 P2 Pt4'
_cell_volume   182.3
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.35  0.0  0.35  1.0
  Ge  Ge1  2  0.48  0.5  0.98  1.0
  P  P2  2  0.0  0.0  0.0  1.0
  Pt  Pt3  4  0.17  0.41  0.75  1.0

Ge Ge P Pt Pt
Ge Ge P Pt Pt 0 2 o o o 0 1 o o - 1 3 o o o 1 4 o o o 1 2 o o + 3 4 o o o 