data_TlIr2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.7
_cell_length_b   5.7
_cell_length_c   5.7
_cell_angle_alpha   151.13
_cell_angle_beta   129.84
_cell_angle_gamma   58.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlIr2Pt
_chemical_formula_sum   'Tl1 Ir2 Pt1'
_cell_volume   68.04
_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  0.41  0.53  1.0
  Ir  Ir0  1  0.0  0.0  0.17  1.0
  Ir  Ir1  1  0.42  0.0  0.39  1.0
  Pt  Pt2  1  0.0  0.0  0.84  1.0

data_TlIr2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   4.83
_cell_length_c   5.7
_cell_angle_alpha   115.08
_cell_angle_beta   104.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlIr2Pt
_chemical_formula_sum   'Tl1 Ir2 Pt1'
_cell_volume   68.04
_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  0.47  0.88  0.88  1.0
  Ir  Ir1  1  0.03  0.61  0.03  1.0
  Ir  Ir2  1  0.83  0.83  0.83  1.0
  Pt  Pt3  1  0.16  0.16  0.16  1.0

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