data_TlSnPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35
_cell_length_b   5.35
_cell_length_c   4.69
_cell_angle_alpha   102.07
_cell_angle_beta   102.07
_cell_angle_gamma   36.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlSnPd2
_chemical_formula_sum   'Tl1 Sn1 Pd2'
_cell_volume   78.24
_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  0.76  0.0  0.68  1.0
  Sn  Sn2  1  0.53  0.0  0.99  1.0
  Pd  Pd0  1  0.02  0.0  0.38  1.0
  Pd  Pd1  1  0.34  0.0  0.37  1.0

data_TlSnPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.37
_cell_length_b   4.69
_cell_length_c   5.35
_cell_angle_alpha   102.07
_cell_angle_beta   108.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlSnPd2
_chemical_formula_sum   'Tl1 Sn1 Pd2'
_cell_volume   78.24
_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  0.68  0.76  1.0
  Sn  Sn1  1  0.0  0.99  0.53  1.0
  Pd  Pd2  1  0.0  0.37  0.34  1.0
  Pd  Pd3  1  0.0  0.38  0.02  1.0

Tl Sn Pd Pd
Tl Sn Pd Pd 0 3 o o o 0 1 o o o 0 2 + o o 1 3 o o + 2 3 o o o 