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 [14.0072]
_cell_length_b [4.9325]
_cell_length_c [10.7562]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.2858]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na5Tl5In2]
_chemical_formula_sum '[Na10 Tl10 In4]'
_cell_volume [671.9482]
_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  0.0904  0.5000  0.2537  1
  Na  Na1  4  0.1625  0.5000  0.9958  1
  Na  Na2  2  0.0000  0.5000  0.5000  1
  Tl  Tl3  4  0.1612  0.0000  0.4926  1
  Tl  Tl4  4  0.2422  0.5000  0.7510  1
  Tl  Tl5  2  0.0000  0.0000  0.0000  1
  In  In6  4  0.0839  0.0000  0.7502  1
]