data_[Na14Tl8In2]
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 [15.1319]
_cell_length_b [5.8685]
_cell_length_c [9.3515]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.6250]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na7Tl4In]
_chemical_formula_sum '[Na14 Tl8 In2]'
_cell_volume [742.3608]
_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  0.0804  0.0000  0.4214  1.0
  Na  Na1  4  0.1814  0.0000  0.8595  1.0
  Na  Na2  4  0.2290  0.0000  0.2509  1.0
  Na  Na3  2  0.0000  0.5000  0.0000  1.0
  Tl  Tl4  4  0.0526  0.5000  0.6962  1.0
  Tl  Tl5  4  0.1735  0.5000  0.3666  1.0
  In  In6  2  0.0000  0.0000  0.0000  1.0
]