data_LaZnCd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.24
_cell_length_b   3.24
_cell_length_c   9.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaZnCd2
_chemical_formula_sum   'La1 Zn1 Cd2'
_cell_volume   98.83
_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  0.01  0.0  0.55  1.0
  Zn  Zn3  1  0.0  0.0  0.29  1.0
  Cd  Cd0  1  0.01  0.0  0.12  1.0
  Cd  Cd1  1  0.0  0.0  0.59  1.0

data_LaZnCd2
_symmetry_space_group_name_H-M   Cmm2
_cell_length_a   4.02
_cell_length_b   5.08
_cell_length_c   9.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   35
_chemical_formula_structural   LaZnCd2
_chemical_formula_sum   'La2 Zn2 Cd4'
_cell_volume   197.67
_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, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, z'
  7  '-x+1/2, y+1/2, z'
  8  '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  0.45  1.0
  Zn  Zn1  2  0.0  0.0  0.71  1.0
  Cd  Cd2  2  0.0  0.0  0.41  1.0
  Cd  Cd3  2  0.0  0.0  0.88  1.0

La Zn Cd Cd
La Zn Cd Cd 0 3 o o o 1 2 o o o 