data_[Na2Tl8In6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [10.7157]
_cell_length_b [7.1173]
_cell_length_c [6.1688]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [NaTl4In3]
_chemical_formula_sum '[Na2 Tl8 In6]'
_cell_volume [470.4729]
_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
[
  Na  Na0  2  0.0000  0.3793  0.1423  1.0
  Tl  Tl1  4  0.2457  0.6281  0.9802  1.0
  Tl  Tl2  2  0.0000  0.1298  0.6485  1.0
  Tl  Tl3  2  0.0000  0.6394  0.6325  1.0
  In  In4  4  0.2492  0.1180  0.9782  1.0
  In  In5  2  0.0000  0.8832  0.1446  1.0
]