data_[Na2Tl4Cd1In2]
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
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.6078]
_cell_length_b [3.6078]
_cell_length_c [23.1809]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Na2Tl4CdIn2]
_chemical_formula_sum '[Na2 Tl4 Cd1 In2]'
_cell_volume [261.3052]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0166  1.0
  Na  Na1  1  0.6667  0.3333  0.3493  1.0
  Tl  Tl2  1  0.0000  0.0000  0.2396  1.0
  Tl  Tl3  1  0.0000  0.0000  0.4623  1.0
  Tl  Tl4  1  0.6667  0.3333  0.1271  1.0
  Tl  Tl5  1  0.6667  0.3333  0.9044  1.0
  Cd  Cd6  1  0.0000  0.0000  0.6750  1.0
  In  In7  1  0.6667  0.3333  0.5737  1.0
  In  In8  1  0.6667  0.3333  0.7748  1.0
]