data_La2ZrCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.51
_cell_length_b   6.51
_cell_length_c   6.51
_cell_angle_alpha   147.6
_cell_angle_beta   129.02
_cell_angle_gamma   61.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2ZrCd
_chemical_formula_sum   'La2 Zr1 Cd1'
_cell_volume   113.76
_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  La1  1  0.82  0.0  0.8  1.0
  La  La2  1  0.0  0.8  0.79  1.0
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.0  0.0  0.59  1.0

data_La2ZrCd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.63
_cell_length_b   5.6
_cell_length_c   6.51
_cell_angle_alpha   115.49
_cell_angle_beta   106.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2ZrCd
_chemical_formula_sum   'La2 Zr1 Cd1'
_cell_volume   113.76
_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  0.02  0.2  0.02  1.0
  La  La1  1  0.21  0.01  0.01  1.0
  Zr  Zr2  1  0.0  0.0  0.0  1.0
  Cd  Cd3  1  0.41  0.41  0.41  1.0

La La Zr Cd