data_GeBiPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.2
_cell_length_b   6.2
_cell_length_c   6.2
_cell_angle_alpha   38.11
_cell_angle_beta   38.11
_cell_angle_gamma   38.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeBiPt2
_chemical_formula_sum   'Ge1 Bi1 Pt2'
_cell_volume   81.49
_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  Ge1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.0  0.61  1.0
  Pt  Pt2  1  0.0  0.0  0.47  1.0
  Pt  Pt3  1  0.0  0.0  0.76  1.0

data_GeBiPt2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.01
_cell_length_b   4.05
_cell_length_c   6.2
_cell_angle_alpha   90.0
_cell_angle_beta   112.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   GeBiPt2
_chemical_formula_sum   'Ge2 Bi2 Pt4'
_cell_volume   162.99
_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
  Bi  Bi1  2  0.0  0.0  0.39  1.0
  Pt  Pt2  2  0.0  0.0  0.24  1.0
  Pt  Pt3  2  0.0  0.0  0.53  1.0

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