data_[Li4Er6In12]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.5237]
_cell_length_b [4.5237]
_cell_length_c [25.6334]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Li2(ErIn2)3]
_chemical_formula_sum '[Li4 Er6 In12]'
_cell_volume [524.5493]
_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  0.0000  0.4555  1
  Er  Er1  4  0.0000  0.0000  0.1949  1
  Er  Er2  2  0.0000  0.0000  0.0000  1
  In  In3  8  0.0000  0.5000  0.0990  1
  In  In4  4  0.0000  0.0000  0.3147  1
]