data_Tl2GePt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.96
_cell_length_b   9.96
_cell_length_c   9.96
_cell_angle_alpha   18.97
_cell_angle_beta   18.97
_cell_angle_gamma   18.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2GePt
_chemical_formula_sum   'Tl2 Ge1 Pt1'
_cell_volume   91.16
_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
  Tl  Tl2  1  0.0  0.0  0.12  1.0
  Tl  Tl3  1  0.0  0.0  0.2  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.0  0.0  0.66  1.0

data_Tl2GePt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.68
_cell_length_b   3.28
_cell_length_c   9.96
_cell_angle_alpha   90.0
_cell_angle_beta   100.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tl2GePt
_chemical_formula_sum   'Tl4 Ge2 Pt2'
_cell_volume   182.33
_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
  Tl  Tl0  2  0.0  0.0  0.8  1.0
  Tl  Tl1  2  0.0  0.0  0.88  1.0
  Ge  Ge2  2  0.0  0.0  0.0  1.0
  Pt  Pt3  2  0.0  0.0  0.34  1.0

Tl Tl Ge Pt
Tl Tl Ge Pt 0 1 o o o 0 2 o o o 2 3 o o - 3 3 o + - 3 3 + - o 3 3 + o - 