data_[Na10Tl10In4]
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 [14.3988]
_cell_length_b [4.7686]
_cell_length_c [11.0255]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.8186]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na5Tl5In2]
_chemical_formula_sum '[Na10 Tl10 In4]'
_cell_volume [681.4649]
_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  0.0901  0.5000  0.2536  1.0
  Na  Na1  4  0.1627  0.5000  0.9957  1.0
  Na  Na2  2  0.0000  0.5000  0.5000  1.0
  Tl  Tl3  4  0.1618  0.0000  0.4938  1.0
  Tl  Tl4  4  0.2408  0.5000  0.7494  1.0
  Tl  Tl5  2  0.0000  0.0000  0.0000  1.0
  In  In6  4  0.0838  0.0000  0.7520  1.0
]