data_[Y36Er18Cd3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Er  1.2400  1.7500  1.0300
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [11.8338]
_cell_length_b [11.8338]
_cell_length_c [14.9899]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Y12Er6Cd]
_chemical_formula_sum '[Y36 Er18 Cd3]'
_cell_volume [1817.9412]
_cell_formula_units_Z [3]
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
[
  Y  Y0  18  0.0114  0.1808  0.8151  1
  Y  Y1  18  0.0479  0.8495  0.4144  1
  Er  Er2  18  0.0245  0.4308  0.6921  1
  Cd  Cd3  3  0.0000  0.0000  0.0000  1
]