data_TlSi2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35
_cell_length_b   5.12
_cell_length_c   4.21
_cell_angle_alpha   69.13
_cell_angle_beta   63.44
_cell_angle_gamma   47.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlSi2Pt
_chemical_formula_sum   'Tl1 Si2 Pt1'
_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
  Tl  Tl3  1  0.77  0.17  0.3  1.0
  Si  Si1  1  0.0  0.59  0.15  1.0
  Si  Si2  1  0.77  0.59  0.15  1.0
  Pt  Pt0  1  0.0  0.0  0.0  1.0

data_TlSi2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.21
_cell_length_b   4.21
_cell_length_c   5.12
_cell_angle_alpha   110.87
_cell_angle_beta   110.87
_cell_angle_gamma   97.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlSi2Pt
_chemical_formula_sum   'Tl1 Si2 Pt1'
_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
  Tl  Tl0  1  0.3  0.23  0.05  1.0
  Si  Si1  1  0.15  -0.0  0.41  1.0
  Si  Si2  1  0.15  0.23  0.64  1.0
  Pt  Pt3  1  0.0  0.0  0.0  1.0

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