data_La2CdNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.45
_cell_length_b   4.45
_cell_length_c   7.63
_cell_angle_alpha   102.84
_cell_angle_beta   102.84
_cell_angle_gamma   51.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2CdNi
_chemical_formula_sum   'La2 Cd1 Ni1'
_cell_volume   114.85
_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  0.42  0.0  0.47  1.0
  La  La2  1  0.69  0.0  0.92  1.0
  Cd  Cd0  1  0.06  0.0  0.7  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0

data_La2CdNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.88
_cell_length_b   4.45
_cell_length_c   7.63
_cell_angle_alpha   102.84
_cell_angle_beta   90.0
_cell_angle_gamma   115.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2CdNi
_chemical_formula_sum   'La2 Cd1 Ni1'
_cell_volume   114.85
_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  0.31  0.08  1.0
  La  La1  1  0.0  0.58  0.53  1.0
  Cd  Cd2  1  0.0  0.94  0.3  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0

La La Cd Ni
La La Cd Ni 0 2 o o o 0 2 + o o 1 3 + o + 1 2 + o o 1 2 o o o 2 3 o o + 