data_Tl2SbPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.33
_cell_length_b   3.91
_cell_length_c   8.04
_cell_angle_alpha   90.0
_cell_angle_beta   99.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2SbPd
_chemical_formula_sum   'Tl2 Sb1 Pd1'
_cell_volume   103.1
_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  Tl2  1  0.3  0.0  0.03  1.0
  Tl  Tl3  1  0.37  0.95  0.37  1.0
  Sb  Sb1  1  0.39  0.95  0.57  1.0
  Pd  Pd0  1  0.63  0.0  0.92  1.0

data_Tl2SbPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   3.91
_cell_length_c   8.04
_cell_angle_alpha   90.0
_cell_angle_beta   99.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2SbPd
_chemical_formula_sum   'Tl2 Sb1 Pd1'
_cell_volume   103.1
_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  0.3  0.0  0.03  1.0
  Tl  Tl1  1  0.37  0.95  0.37  1.0
  Sb  Sb2  1  0.39  0.95  0.57  1.0
  Pd  Pd3  1  0.63  0.0  0.92  1.0

Tl Tl Sb Pd
Tl Tl Sb Pd 0 3 o o - 1 2 o o o 