data_TlIrPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   4.95
_cell_angle_alpha   100.58
_cell_angle_beta   100.58
_cell_angle_gamma   35.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlIrPd2
_chemical_formula_sum   'Tl1 Ir1 Pd2'
_cell_volume   67.82
_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  0.16  0.0  0.43  1.0
  Ir  Ir0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.64  0.0  0.72  1.0
  Pd  Pd2  1  0.68  0.0  0.14  1.0

data_TlIrPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   4.88
_cell_length_c   4.95
_cell_angle_alpha   100.58
_cell_angle_beta   90.0
_cell_angle_gamma   107.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlIrPd2
_chemical_formula_sum   'Tl1 Ir1 Pd2'
_cell_volume   67.82
_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  0.84  0.57  1.0
  Ir  Ir1  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.0  0.32  0.86  1.0
  Pd  Pd3  1  0.0  0.36  0.28  1.0

Tl Ir Pd Pd