data_Tl2SiPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   5.23
_cell_angle_alpha   128.39
_cell_angle_beta   128.39
_cell_angle_gamma   75.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2SiPt
_chemical_formula_sum   'Tl2 Si1 Pt1'
_cell_volume   85.29
_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  0.28  0.0  0.06  1.0
  Tl  Tl3  1  0.0  0.28  0.06  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Pt  Pt0  1  0.0  0.0  0.12  1.0

data_Tl2SiPt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.44
_cell_length_b   6.44
_cell_length_c   5.23
_cell_angle_alpha   90.0
_cell_angle_beta   127.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tl2SiPt
_chemical_formula_sum   'Tl4 Si2 Pt2'
_cell_volume   170.58
_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  4  0.36  0.36  0.78  1.0
  Si  Si1  2  0.0  0.0  0.0  1.0
  Pt  Pt2  2  0.0  0.0  0.12  1.0

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