data_[Li16Sn4As2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sn  1.9600  1.4500  0.8300
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.5992]
_cell_length_b [4.3559]
_cell_length_c [6.2396]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.1998]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li8Sn2As]
_chemical_formula_sum '[Li16 Sn4 As2]'
_cell_volume [384.6641]
_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  0.0246  0.0000  0.7576  1.0
  Li  Li1  4  0.1018  0.5000  0.4021  1.0
  Li  Li2  4  0.1528  0.0000  0.1748  1.0
  Li  Li3  4  0.1659  0.5000  0.9231  1.0
  Sn  Sn4  4  0.2067  0.0000  0.6416  1.0
  As  As5  2  0.0000  0.5000  0.0000  1.0
]