data_[Na4Tl6In8]
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 [11.3781]
_cell_length_b [4.7449]
_cell_length_c [10.1432]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.8479]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2Tl3In4]
_chemical_formula_sum '[Na4 Tl6 In8]'
_cell_volume [496.9145]
_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  4  0.1610  0.5000  0.2208  1
  Tl  Tl1  4  0.1682  0.5000  0.5604  1
  Tl  Tl2  2  0.0000  0.0000  0.0000  1
  In  In3  4  0.0055  0.0000  0.6679  1
  In  In4  4  0.1696  0.5000  0.8878  1
]