data_Tl2AgPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.45
_cell_length_b   6.45
_cell_length_c   6.45
_cell_angle_alpha   150.85
_cell_angle_beta   136.58
_cell_angle_gamma   53.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2AgPd
_chemical_formula_sum   'Tl2 Ag1 Pd1'
_cell_volume   89.3
_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  Tl2  1  0.0  0.39  0.34  1.0
  Tl  Tl3  1  0.0  0.0  0.88  1.0
  Ag  Ag0  1  0.0  0.39  0.48  1.0
  Pd  Pd1  1  0.0  0.0  0.6  1.0

data_Tl2AgPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   4.77
_cell_length_c   6.45
_cell_angle_alpha   111.71
_cell_angle_beta   104.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2AgPd
_chemical_formula_sum   'Tl2 Ag1 Pd1'
_cell_volume   89.3
_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  0.12  0.12  0.12  1.0
  Tl  Tl1  1  0.66  0.04  0.04  1.0
  Ag  Ag2  1  0.52  0.9  0.9  1.0
  Pd  Pd3  1  0.4  0.4  0.4  1.0

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