data_[Na6Tl14In2]
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 [Cm]
_cell_length_a [6.9341]
_cell_length_b [10.7261]
_cell_length_c [8.8873]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.7379]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Na3Tl7In]
_chemical_formula_sum '[Na6 Tl14 In2]'
_cell_volume [660.6981]
_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  0.4609  0.2010  0.4796  1
  Na  Na1  2  0.4771  0.0000  0.0785  1
  Tl  Tl2  4  0.1807  0.2296  0.1738  1
  Tl  Tl3  4  0.3708  0.2316  0.8371  1
  Tl  Tl4  2  0.1412  0.0000  0.6436  1
  Tl  Tl5  2  0.1620  0.5000  0.7083  1
  Tl  Tl6  2  0.3460  0.5000  0.3433  1
  In  In7  2  0.4739  0.5000  0.9951  1
]