data_LaCd2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.2
_cell_length_b   6.2
_cell_length_c   3.22
_cell_angle_alpha   97.69
_cell_angle_beta   97.69
_cell_angle_gamma   125.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCd2Pd
_chemical_formula_sum   'La1 Cd2 Pd1'
_cell_volume   96.43
_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  0.84  0.0  0.0  1.0
  Cd  Cd0  1  0.95  0.76  0.54  1.0
  Cd  Cd1  1  0.95  0.24  0.54  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

data_LaCd2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   5.66
_cell_length_c   6.2
_cell_angle_alpha   112.62
_cell_angle_beta   97.69
_cell_angle_gamma   105.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCd2Pd
_chemical_formula_sum   'La1 Cd2 Pd1'
_cell_volume   96.43
_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  -0.0  0.0  0.84  1.0
  Cd  Cd1  1  0.29  0.76  0.71  1.0
  Cd  Cd2  1  0.78  0.24  0.2  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

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