data_[Na16Tl4In6]
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 [C2/m]
_cell_length_a [14.2933]
_cell_length_b [8.9688]
_cell_length_c [6.6229]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.6533]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na8Tl2In3]
_chemical_formula_sum '[Na16 Tl4 In6]'
_cell_volume [843.2935]
_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  8  0.1198  0.3098  0.4447  1.0
  Na  Na1  4  0.1010  0.5000  0.9060  1.0
  Na  Na2  4  0.1880  0.0000  0.8027  1.0
  Tl  Tl3  4  0.1915  0.0000  0.2872  1.0
  In  In4  4  0.0000  0.1694  0.0000  1.0
  In  In5  2  0.0000  0.0000  0.5000  1.0
]