data_[Na8Tl14In2]
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 [11.8919]
_cell_length_b [5.8917]
_cell_length_c [12.1985]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.3723]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na4Tl7In]
_chemical_formula_sum '[Na8 Tl14 In2]'
_cell_volume [752.0017]
_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  0.1533  0.5000  0.7817  1
  Na  Na1  4  0.1725  0.0000  0.6292  1
  Tl  Tl2  4  0.0955  0.0000  0.3028  1
  Tl  Tl3  4  0.1186  0.5000  0.4700  1
  Tl  Tl4  4  0.2029  0.0000  0.9114  1
  Tl  Tl5  2  0.0000  0.5000  0.0000  1
  In  In6  2  0.0000  0.0000  0.0000  1
]