data_[Y8Er18Al22]
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
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [15.2807]
_cell_length_b [22.3033]
_cell_length_c [3.3312]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Y4Er9Al11]
_chemical_formula_sum '[Y8 Er18 Al22]'
_cell_volume [1135.3081]
_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
[
  Y  Y0  8  0.1773  0.4174  0.5000  1
  Er  Er1  8  0.1066  0.0970  0.5000  1
  Er  Er2  8  0.1118  0.2759  0.5000  1
  Er  Er3  2  0.0000  0.5000  0.5000  1
  Al  Al4  8  0.2250  0.1869  0.0000  1
  Al  Al5  4  0.0000  0.1886  0.0000  1
  Al  Al6  4  0.0000  0.3790  0.0000  1
  Al  Al7  4  0.1966  0.0000  0.0000  1
  Al  Al8  2  0.0000  0.0000  0.0000  1
]