data_[Li6Tl4As8]
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 [P2_1/c]
_cell_length_a [9.1690]
_cell_length_b [6.9771]
_cell_length_c [6.6176]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.5810]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Li3(TlAs2)2]
_chemical_formula_sum '[Li6 Tl4 As8]'
_cell_volume [396.3324]
_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  0.2683  0.6439  0.0372  1
  Li  Li1  2  0.5000  0.0000  0.0000  1
  Tl  Tl2  4  0.2072  0.1039  0.0846  1
  As  As3  4  0.0147  0.6014  0.1524  1
  As  As4  4  0.4976  0.6279  0.8699  1
]