data_TlGePd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.73
_cell_length_b   8.73
_cell_length_c   8.73
_cell_angle_alpha   20.81
_cell_angle_beta   20.81
_cell_angle_gamma   20.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlGePd2
_chemical_formula_sum   'Tl1 Ge1 Pd2'
_cell_volume   73.46
_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  0.0  0.0  0.8  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.0  0.0  0.93  1.0
  Pd  Pd2  1  0.0  0.0  0.68  1.0

data_TlGePd2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.46
_cell_length_b   3.15
_cell_length_c   8.73
_cell_angle_alpha   90.0
_cell_angle_beta   102.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlGePd2
_chemical_formula_sum   'Tl2 Ge2 Pd4'
_cell_volume   146.93
_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  -0.0  0.0  0.2  1.0
  Ge  Ge1  2  -0.0  0.0  0.0  1.0
  Pd  Pd2  2  -0.0  0.0  0.32  1.0
  Pd  Pd3  2  -0.0  0.0  0.07  1.0

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