data_[Na4Tl12In2]
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 [P4_2/mnm]
_cell_length_a [10.3271]
_cell_length_b [10.3271]
_cell_length_c [4.8903]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [Na2Tl6In]
_chemical_formula_sum '[Na4 Tl12 In2]'
_cell_volume [521.5408]
_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  0.1830  0.1830  0.0000  1
  Tl  Tl1  8  0.0197  0.3324  0.5000  1
  Tl  Tl2  4  0.1465  0.8535  0.0000  1
  In  In3  2  0.0000  0.0000  0.5000  1
]