data_TlIrPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95
_cell_length_b   4.6
_cell_length_c   4.81
_cell_angle_alpha   90.0
_cell_angle_beta   91.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlIrPd2
_chemical_formula_sum   'Tl1 Ir1 Pd2'
_cell_volume   65.32
_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  0.1  0.3  0.27  1.0
  Ir  Ir0  1  0.88  0.0  0.82  1.0
  Pd  Pd1  1  0.53  0.3  0.64  1.0
  Pd  Pd2  1  0.48  0.0  0.28  1.0

data_TlIrPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   4.6
_cell_length_c   4.81
_cell_angle_alpha   90.0
_cell_angle_beta   91.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlIrPd2
_chemical_formula_sum   'Tl1 Ir1 Pd2'
_cell_volume   65.32
_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  0.1  0.3  0.27  1.0
  Pd  Pd1  1  0.48  0.0  0.28  1.0
  Pd  Pd2  1  0.53  0.3  0.64  1.0
  Ir  Ir3  1  0.88  0.0  0.82  1.0

Tl Ir Pd Pd
Tl Ir Pd Pd 0 3 o o o 0 2 o o o 1 2 o o o 2 3 o o o 