data_TlGePd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   3.08
_cell_angle_alpha   103.34
_cell_angle_beta   103.34
_cell_angle_gamma   108.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlGePd2
_chemical_formula_sum   'Tl1 Ge1 Pd2'
_cell_volume   73.95
_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  0.07  0.0  0.0  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.93  0.13  0.41  1.0
  Pd  Pd2  1  0.93  0.87  0.41  1.0

data_TlGePd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   5.25
_cell_length_c   5.25
_cell_angle_alpha   108.28
_cell_angle_beta   103.34
_cell_angle_gamma   103.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlGePd2
_chemical_formula_sum   'Tl1 Ge1 Pd2'
_cell_volume   73.95
_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  0.07  0.0  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.41  0.93  0.87  1.0
  Pd  Pd3  1  0.41  0.93  0.13  1.0

Tl Ge Pd Pd