data_[Li20Si4As12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Si  1.9000  1.1000  0.5400
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.3470]
_cell_length_b [6.0092]
_cell_length_c [8.5533]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4306]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Li5SiAs3]
_chemical_formula_sum '[Li20 Si4 As12]'
_cell_volume [650.8328]
_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  8  0.1629  0.2518  0.5728  1
  Li  Li1  8  0.1663  0.2541  0.0877  1
  Li  Li2  4  0.0000  0.2481  0.2500  1
  Si  Si3  4  0.0000  0.2631  0.7500  1
  As  As4  8  0.1570  0.4724  0.8239  1
  As  As5  4  0.0000  0.0000  0.0000  1
]