data_TlSi2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.51
_cell_length_b   3.55
_cell_length_c   6.4
_cell_angle_alpha   90.0
_cell_angle_beta   101.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlSi2Pd
_chemical_formula_sum   'Tl1 Si2 Pd1'
_cell_volume   78.11
_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  0.15  0.78  0.34  1.0
  Si  Si1  1  0.52  0.78  0.53  1.0
  Si  Si2  1  0.31  0.0  0.55  1.0
  Pd  Pd0  1  0.29  0.0  0.97  1.0

data_TlSi2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.51
_cell_length_b   3.55
_cell_length_c   6.4
_cell_angle_alpha   90.0
_cell_angle_beta   101.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlSi2Pd
_chemical_formula_sum   'Tl1 Si2 Pd1'
_cell_volume   78.11
_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  0.15  0.78  0.34  1.0
  Si  Si1  1  0.31  0.0  0.55  1.0
  Si  Si2  1  0.52  0.78  0.53  1.0
  Pd  Pd3  1  0.29  0.0  0.97  1.0

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