data_TlGePt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.94
_cell_length_b   3.94
_cell_length_c   6.38
_cell_angle_alpha   105.43
_cell_angle_beta   105.43
_cell_angle_gamma   58.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlGePt2
_chemical_formula_sum   'Tl1 Ge1 Pt2'
_cell_volume   80.36
_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  Tl3  1  0.47  0.0  0.04  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.64  0.0  0.13  1.0
  Pt  Pt2  1  0.3  0.0  0.94  1.0

data_TlGePt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.85
_cell_length_b   3.94
_cell_length_c   6.38
_cell_angle_alpha   105.43
_cell_angle_beta   90.0
_cell_angle_gamma   119.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlGePt2
_chemical_formula_sum   'Tl1 Ge1 Pt2'
_cell_volume   80.36
_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  Tl0  1  0.0  0.53  0.96  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.0  0.36  0.87  1.0
  Pt  Pt3  1  0.0  0.7  0.06  1.0

Tl Ge Pt Pt