data_LaCd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.61
_cell_length_b   6.61
_cell_length_c   5.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   46.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCd2
_chemical_formula_sum   'La2 Cd4'
_cell_volume   162.08
_cell_formula_units_Z   2
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  La4  1  0.08  0.4  0.28  1.0
  La  La5  1  0.08  0.6  0.85  1.0
  Cd  Cd0  1  0.3  0.87  0.28  1.0
  Cd  Cd1  1  0.86  0.13  0.85  1.0
  Cd  Cd2  1  0.86  0.87  0.28  1.0
  Cd  Cd3  1  0.3  0.13  0.85  1.0

data_LaCd2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.13
_cell_length_b   5.19
_cell_length_c   6.61
_cell_angle_alpha   113.12
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   LaCd2
_chemical_formula_sum   'La2 Cd4'
_cell_volume   162.08
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.28  0.6  0.1  1.0
  Cd  Cd1  2  0.28  0.13  0.41  1.0
  Cd  Cd2  2  0.28  0.13  0.86  1.0

La La Cd Cd Cd Cd