data_Tl2GePd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.28
_cell_length_b   3.28
_cell_length_c   8.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2GePd
_chemical_formula_sum   'Tl2 Ge1 Pd1'
_cell_volume   89.84
_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  0.64  0.64  0.05  1.0
  Tl  Tl3  1  0.64  0.64  0.31  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.0  0.0  0.18  1.0

data_Tl2GePd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   8.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tl2GePd
_chemical_formula_sum   'Tl4 Ge2 Pd2'
_cell_volume   179.68
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.14  0.5  0.05  1.0
  Tl  Tl1  2  0.14  0.5  0.31  1.0
  Ge  Ge2  2  0.0  0.0  0.0  1.0
  Pd  Pd3  2  0.0  0.0  0.18  1.0

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