data_[La12Cd2Ni2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Cd  1.6900  1.5500  1.0900
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0961]
_cell_length_b [10.4487]
_cell_length_c [6.7708]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.3477]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6CdNi]
_chemical_formula_sum '[La12 Cd2 Ni2]'
_cell_volume [492.2080]
_cell_formula_units_Z [2]
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  8  0.1305  0.1967  0.7739  1.0
  La  La1  4  0.2164  0.5000  0.6017  1.0
  Cd  Cd2  2  0.0000  0.5000  0.0000  1.0
  Ni  Ni3  2  0.0000  0.0000  0.0000  1.0
]