data_[Li4Er6Al18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Er  1.2400  1.7500  1.0300
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.3336]
_cell_length_b [9.8453]
_cell_length_c [12.4659]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Li2(ErAl3)3]
_chemical_formula_sum '[Li4 Er6 Al18]'
_cell_volume [531.8722]
_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
[
  Li  Li0  4  0.0000  0.1882  0.5000  1
  Er  Er1  4  0.0000  0.0000  0.3019  1
  Er  Er2  2  0.0000  0.0000  0.0000  1
  Al  Al3  8  0.0000  0.2809  0.1370  1
  Al  Al4  8  0.0000  0.3673  0.3480  1
  Al  Al5  2  0.0000  0.5000  0.0000  1
]