data_[Na2Tl14In8]
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 [13.5827]
_cell_length_b [5.8965]
_cell_length_c [11.4496]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.7874]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaTl7In4]
_chemical_formula_sum '[Na2 Tl14 In8]'
_cell_volume [779.4562]
_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  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  4  0.0556  0.0000  0.3920  1.0
  Tl  Tl2  4  0.1921  0.5000  0.6205  1.0
  Tl  Tl3  4  0.2184  0.0000  0.8871  1.0
  Tl  Tl4  2  0.0000  0.5000  0.0000  1.0
  In  In5  4  0.0715  0.5000  0.7777  1.0
  In  In6  4  0.1882  0.5000  0.3274  1.0
]