data_[Y6Er4Al4]
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 [I4/mmm]
_cell_length_a [3.5429]
_cell_length_b [3.5429]
_cell_length_c [30.1194]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Y3(ErAl)2]
_chemical_formula_sum '[Y6 Er4 Al4]'
_cell_volume [378.0575]
_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  4  0.0000  0.0000  0.1253  1
  Y  Y1  2  0.0000  0.0000  0.0000  1
  Er  Er2  4  0.0000  0.0000  0.2895  1
  Al  Al3  4  0.0000  0.0000  0.4369  1
]