data_[Li4Er4Si8]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.5594]
_cell_length_b [4.0862]
_cell_length_c [10.7583]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [LiErSi2]
_chemical_formula_sum '[Li4 Er4 Si8]'
_cell_volume [288.3549]
_cell_formula_units_Z [4]
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  0.1399  0.2500  0.5535  1.0
  Er  Er1  4  0.1507  0.2500  0.8427  1.0
  Si  Si2  4  0.0283  0.2500  0.3326  1.0
  Si  Si3  4  0.1717  0.2500  0.1304  1.0
]