data_[Li4Tl4Si4As8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tl  1.6200  1.9000  1.3325
  Si  1.9000  1.1000  0.5400
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.5297]
_cell_length_b [3.9365]
_cell_length_c [10.4560]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.4365]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiTlSiAs2]
_chemical_formula_sum '[Li4 Tl4 Si4 As8]'
_cell_volume [470.0084]
_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  0.1478  0.5000  0.9079  1.0
  Tl  Tl1  4  0.1804  0.0000  0.6399  1.0
  Si  Si2  4  0.0349  0.0000  0.1704  1.0
  As  As3  4  0.0648  0.5000  0.3308  1.0
  As  As4  4  0.1521  0.0000  0.0633  1.0
]