data_[Li2Tl6As4]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.6107]
_cell_length_b [6.4020]
_cell_length_c [18.8299]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LiTl3As2]
_chemical_formula_sum '[Li2 Tl6 As4]'
_cell_volume [1158.5566]
_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  2  0.1620  0.0000  0.4090  1
  Tl  Tl1  4  0.1256  0.2540  0.5394  1
  Tl  Tl2  2  0.3777  0.5000  0.6124  1
  As  As3  4  0.3790  0.3107  0.4499  1
]