data_[Na4Tl4In8]
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 [Pnma]
_cell_length_a [6.0758]
_cell_length_b [5.5529]
_cell_length_c [13.5835]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [NaTlIn2]
_chemical_formula_sum '[Na4 Tl4 In8]'
_cell_volume [458.2907]
_cell_formula_units_Z [4]
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  0.1226  0.2500  0.8185  1.0
  Tl  Tl1  4  0.1047  0.2500  0.5630  1.0
  In  In2  4  0.0525  0.2500  0.3072  1.0
  In  In3  4  0.0549  0.2500  0.0700  1.0
]