data_Al2TlCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.28
_cell_length_b   5.15
_cell_length_c   5.43
_cell_angle_alpha   90.0
_cell_angle_beta   94.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2TlCd
_chemical_formula_sum   'Al2 Tl1 Cd1'
_cell_volume   91.45
_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
  Al  Al0  1  0.23  0.57  0.13  1.0
  Al  Al1  1  0.64  0.57  0.29  1.0
  Tl  Tl3  1  0.44  0.0  0.71  1.0
  Cd  Cd2  1  0.0  0.0  0.0  1.0

data_Al2TlCd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   5.15
_cell_length_c   5.43
_cell_angle_alpha   90.0
_cell_angle_beta   94.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2TlCd
_chemical_formula_sum   'Al2 Tl1 Cd1'
_cell_volume   91.45
_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
  Al  Al0  1  0.23  0.57  0.13  1.0
  Al  Al1  1  0.64  0.57  0.29  1.0
  Tl  Tl2  1  0.44  0.0  0.71  1.0
  Cd  Cd3  1  0.0  0.0  0.0  1.0

Al Al Tl Cd