data_[Li4Y4Si8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Y  1.2200  1.8000  1.0400
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.6265]
_cell_length_b [3.8000]
_cell_length_c [10.1989]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [LiYSi2]
_chemical_formula_sum '[Li4 Y4 Si8]'
_cell_volume [295.5744]
_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  0.0101  0.7500  0.6076  1.0
  Y  Y1  4  0.1397  0.2500  0.8633  1.0
  Si  Si2  4  0.1560  0.2500  0.1798  1.0
  Si  Si3  4  0.2332  0.2500  0.5679  1.0
]