data_[La12Y2Cd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Y  1.2200  1.8000  1.0400
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.3129]
_cell_length_b [3.8743]
_cell_length_c [12.3990]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6982]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6YCd2]
_chemical_formula_sum '[La12 Y2 Cd4]'
_cell_volume [605.7624]
_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  4  0.0204  0.0000  0.3364  1.0
  La  La1  4  0.1828  0.5000  0.8763  1.0
  La  La2  4  0.1914  0.5000  0.5918  1.0
  Y  Y3  2  0.0000  0.0000  0.0000  1.0
  Cd  Cd4  4  0.1394  0.5000  0.1930  1.0
]