data_GePt2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   4.73
_cell_angle_alpha   119.33
_cell_angle_beta   119.33
_cell_angle_gamma   91.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GePt2Pb
_chemical_formula_sum   'Ge1 Pt2 Pb1'
_cell_volume   75.7
_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
  Pt  Pt2  1  0.0  0.39  0.66  1.0
  Pt  Pt3  1  0.39  0.0  0.66  1.0
  Pb  Pb1  1  0.0  0.0  0.31  1.0

data_GePt2Pb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.62
_cell_length_b   6.76
_cell_length_c   4.73
_cell_angle_alpha   90.0
_cell_angle_beta   134.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   GePt2Pb
_chemical_formula_sum   'Ge2 Pt4 Pb2'
_cell_volume   151.4
_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  0.0  0.0  0.0  1.0
  Pt  Pt1  4  0.04  0.3  0.34  1.0
  Pb  Pb2  2  0.19  0.5  0.69  1.0

Ge Pt Pt Pb