data_TlSiPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.52
_cell_length_b   4.52
_cell_length_c   3.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlSiPd2
_chemical_formula_sum   'Tl1 Si1 Pd2'
_cell_volume   68.16
_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  0.26  0.26  0.0  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Pd  Pd0  1  0.26  0.0  0.67  1.0
  Pd  Pd1  1  0.0  0.26  0.67  1.0

data_TlSiPd2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.4
_cell_length_b   6.4
_cell_length_c   3.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlSiPd2
_chemical_formula_sum   'Tl2 Si2 Pd4'
_cell_volume   136.32
_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  0.26  0.0  0.0  1.0
  Si  Si1  2  0.0  0.0  0.0  1.0
  Pd  Pd2  4  0.13  0.13  0.67  1.0

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