data_LaCd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.64
_cell_length_b   5.64
_cell_length_c   5.64
_cell_angle_alpha   133.53
_cell_angle_beta   123.53
_cell_angle_gamma   76.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCd3
_chemical_formula_sum   'La1 Cd3'
_cell_volume   105.24
_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  0.44  1.0
  Cd  Cd0  1  0.0  0.67  0.4  1.0
  Cd  Cd1  1  0.0  0.0  0.0  1.0
  Cd  Cd2  1  0.22  0.0  0.04  1.0

data_LaCd3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.45
_cell_length_b   5.33
_cell_length_c   5.64
_cell_angle_alpha   118.23
_cell_angle_beta   113.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCd3
_chemical_formula_sum   'La1 Cd3'
_cell_volume   105.24
_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  0.56  0.56  0.56  1.0
  Cd  Cd1  1  0.0  0.0  0.0  1.0
  Cd  Cd2  1  0.18  0.96  0.18  1.0
  Cd  Cd3  1  0.6  0.27  0.27  1.0

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