data_[La4Er12Cd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Er  1.2400  1.7500  1.0300
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.0946]
_cell_length_b [3.7016]
_cell_length_c [12.5293]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.6437]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaEr3Cd]
_chemical_formula_sum '[La4 Er12 Cd4]'
_cell_volume [606.0809]
_cell_formula_units_Z [4]
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  0.2377  0.0000  0.7510  1
  Er  Er1  4  0.0349  0.0000  0.1870  1
  Er  Er2  4  0.1336  0.5000  0.9777  1
  Er  Er3  4  0.1441  0.0000  0.4531  1
  Cd  Cd4  4  0.0466  0.5000  0.6284  1
]