data_LaCd2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   5.03
_cell_angle_alpha   121.45
_cell_angle_beta   118.0
_cell_angle_gamma   90.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCd2Ni
_chemical_formula_sum   'La1 Cd2 Ni1'
_cell_volume   90.32
_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  0.0  0.59  0.0  1.0
  Cd  Cd0  1  0.46  0.0  0.1  1.0
  Cd  Cd1  1  0.0  0.0  0.45  1.0
  Ni  Ni3  1  0.0  0.0  0.53  1.0

data_LaCd2Ni
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.92
_cell_length_b   5.03
_cell_length_c   5.03
_cell_angle_alpha   62.0
_cell_angle_beta   60.72
_cell_angle_gamma   60.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCd2Ni
_chemical_formula_sum   'La1 Cd2 Ni1'
_cell_volume   90.32
_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  0.59  1.0
  Cd  Cd1  1  0.45  0.0  0.55  1.0
  Cd  Cd2  1  0.64  0.46  0.9  1.0
  Ni  Ni3  1  0.53  0.0  0.47  1.0

La Cd Cd Ni