data_AlTlCd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.06
_cell_length_b   6.06
_cell_length_c   3.18
_cell_angle_alpha   99.51
_cell_angle_beta   99.51
_cell_angle_gamma   118.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTlCd2
_chemical_formula_sum   'Al1 Tl1 Cd2'
_cell_volume   96.78
_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  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.09  0.0  0.0  1.0
  Cd  Cd1  1  0.03  0.39  0.5  1.0
  Cd  Cd2  1  0.03  0.61  0.5  1.0

data_AlTlCd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   5.96
_cell_length_c   6.06
_cell_angle_alpha   116.09
_cell_angle_beta   99.51
_cell_angle_gamma   101.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTlCd2
_chemical_formula_sum   'Al1 Tl1 Cd2'
_cell_volume   96.78
_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  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.0  0.0  0.09  1.0
  Cd  Cd2  1  0.11  0.61  0.63  1.0
  Cd  Cd3  1  0.9  0.39  0.42  1.0

Al Tl Cd Cd
Al Tl Cd Cd 0 1 o o o 2 3 o o o 