data_SnGe2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.11
_cell_length_b   6.11
_cell_length_c   6.11
_cell_angle_alpha   148.95
_cell_angle_beta   135.79
_cell_angle_gamma   55.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnGe2Pt
_chemical_formula_sum   'Sn1 Ge2 Pt1'
_cell_volume   81.42
_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
  Sn  Sn3  1  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.0  0.3  0.2  1.0
  Ge  Ge1  1  0.63  0.0  0.22  1.0
  Pt  Pt2  1  0.0  0.0  0.42  1.0

data_SnGe2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   4.6
_cell_length_c   6.11
_cell_angle_alpha   112.11
_cell_angle_beta   105.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnGe2Pt
_chemical_formula_sum   'Sn1 Ge2 Pt1'
_cell_volume   81.42
_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
  Sn  Sn0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.41  0.78  0.41  1.0
  Ge  Ge2  1  0.8  0.1  0.1  1.0
  Pt  Pt3  1  0.58  0.58  0.58  1.0

Sn Ge Ge Pt
Sn Ge Ge Pt 0 1 o o o 2 3 + o o 