data_Tl2ZnPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.35
_cell_length_b   6.35
_cell_length_c   6.35
_cell_angle_alpha   151.07
_cell_angle_beta   133.66
_cell_angle_gamma   55.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2ZnPd
_chemical_formula_sum   'Tl2 Zn1 Pd1'
_cell_volume   88.91
_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  Tl1  1  0.0  0.0  0.82  1.0
  Tl  Tl2  1  0.59  0.0  0.95  1.0
  Zn  Zn3  1  0.0  0.0  0.13  1.0
  Pd  Pd0  1  0.0  0.5  0.56  1.0

data_Tl2ZnPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   4.99
_cell_length_c   6.35
_cell_angle_alpha   113.17
_cell_angle_beta   104.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2ZnPd
_chemical_formula_sum   'Tl2 Zn1 Pd1'
_cell_volume   88.91
_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  0.82  0.82  1.0
  Tl  Tl1  1  0.0  0.95  0.36  1.0
  Zn  Zn2  1  0.0  0.13  0.13  1.0
  Pd  Pd3  1  0.5  0.06  0.06  1.0

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