data_TlRuPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55
_cell_length_b   5.55
_cell_length_c   5.55
_cell_angle_alpha   148.39
_cell_angle_beta   129.87
_cell_angle_gamma   60.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlRuPt2
_chemical_formula_sum   'Tl1 Ru1 Pt2'
_cell_volume   68.09
_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  0.0  0.0  0.79  1.0
  Ru  Ru2  1  0.0  0.0  0.0  1.0
  Pt  Pt0  1  0.51  0.0  0.29  1.0
  Pt  Pt1  1  0.0  0.35  0.5  1.0

data_TlRuPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.02
_cell_length_b   4.7
_cell_length_c   5.55
_cell_angle_alpha   115.07
_cell_angle_beta   105.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlRuPt2
_chemical_formula_sum   'Tl1 Ru1 Pt2'
_cell_volume   68.09
_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  0.21  0.21  0.21  1.0
  Ru  Ru1  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.22  0.71  0.22  1.0
  Pt  Pt3  1  0.5  0.85  0.85  1.0

Tl Ru Pt Pt