data_[Na20Tl4In4]
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/c]
_cell_length_a [8.0510]
_cell_length_b [9.3749]
_cell_length_c [12.0991]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7944]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Na5TlIn]
_chemical_formula_sum '[Na20 Tl4 In4]'
_cell_volume [864.5157]
_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  8  0.1121  0.4761  0.1511  1.0
  Na  Na1  8  0.1714  0.1029  0.0409  1.0
  Na  Na2  4  0.0000  0.1496  0.2500  1.0
  Tl  Tl3  4  0.2500  0.2500  0.5000  1.0
  In  In4  4  0.0000  0.2081  0.7500  1.0
]