data_Tl2GePd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49
_cell_length_b   5.49
_cell_length_c   5.49
_cell_angle_alpha   131.78
_cell_angle_beta   131.78
_cell_angle_gamma   70.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2GePd
_chemical_formula_sum   'Tl2 Ge1 Pd1'
_cell_volume   89.94
_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  0.0  0.0  0.48  1.0
  Tl  Tl3  1  0.0  0.24  0.24  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.24  0.0  0.24  1.0

data_Tl2GePd
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.48
_cell_length_b   4.48
_cell_length_c   5.49
_cell_angle_alpha   114.11
_cell_angle_beta   114.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2GePd
_chemical_formula_sum   'Tl2 Ge1 Pd1'
_cell_volume   89.94
_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  0.24  0.0  1.0
  Tl  Tl1  1  0.52  0.0  0.52  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.76  0.0  0.0  1.0

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