data_LaTiCd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.2
_cell_length_b   5.08
_cell_length_c   5.93
_cell_angle_alpha   90.0
_cell_angle_beta   92.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTiCd2
_chemical_formula_sum   'La1 Ti1 Cd2'
_cell_volume   96.28
_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
  La  La2  1  0.21  0.54  0.78  1.0
  Ti  Ti3  1  0.74  0.0  0.86  1.0
  Cd  Cd0  1  0.53  0.54  0.67  1.0
  Cd  Cd1  1  0.77  0.0  0.49  1.0

data_LaTiCd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   5.08
_cell_length_c   5.93
_cell_angle_alpha   90.0
_cell_angle_beta   92.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTiCd2
_chemical_formula_sum   'La1 Ti1 Cd2'
_cell_volume   96.28
_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
  La  La0  1  0.21  0.54  0.78  1.0
  Ti  Ti1  1  0.74  0.0  0.86  1.0
  Cd  Cd2  1  0.53  0.54  0.67  1.0
  Cd  Cd3  1  0.77  0.0  0.49  1.0

La Ti Cd Cd