data_LaCrCd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.69
_cell_length_b   10.69
_cell_length_c   10.69
_cell_angle_alpha   16.62
_cell_angle_beta   16.62
_cell_angle_gamma   16.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCrCd2
_chemical_formula_sum   'La1 Cr1 Cd2'
_cell_volume   87.18
_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  La3  1  0.0  0.0  0.95  1.0
  Cr  Cr2  1  0.0  0.0  0.98  1.0
  Cd  Cd0  1  0.0  0.0  0.43  1.0
  Cd  Cd1  1  0.0  0.0  0.68  1.0

data_LaCrCd2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.35
_cell_length_b   3.09
_cell_length_c   10.69
_cell_angle_alpha   90.0
_cell_angle_beta   99.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaCrCd2
_chemical_formula_sum   'La2 Cr2 Cd4'
_cell_volume   174.36
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.05  1.0
  Cr  Cr1  2  0.0  0.0  0.02  1.0
  Cd  Cd2  2  -0.0  0.0  0.57  1.0
  Cd  Cd3  2  0.0  0.0  0.32  1.0

La Cr Cd Cd
La Cr Cd Cd 0 1 o o o 0 3 o o o 1 3 o o o 2 2 o + - 2 2 + - o 2 2 + o - 2 3 o o o 3 3 o + - 3 3 + - o 3 3 + o - 