data_[Y16Er4Al2]
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 [C2/m]
_cell_length_a [19.2534]
_cell_length_b [5.5025]
_cell_length_c [6.4388]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.0632]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y8Er2Al]
_chemical_formula_sum '[Y16 Er4 Al2]'
_cell_volume [680.4171]
_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  0.0431  0.0000  0.2527  1.0
  Y  Y1  4  0.0776  0.5000  0.6050  1.0
  Y  Y2  4  0.1558  0.0000  0.8070  1.0
  Y  Y3  4  0.1577  0.5000  0.1255  1.0
  Er  Er4  4  0.2420  0.0000  0.3351  1.0
  Al  Al5  2  0.0000  0.5000  0.0000  1.0
]