data_[Na4Tl2In5]
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 [P2/m]
_cell_length_a [8.4725]
_cell_length_b [3.2415]
_cell_length_c [11.1359]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.5678]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Na4Tl2In5]
_chemical_formula_sum '[Na4 Tl2 In5]'
_cell_volume [305.2383]
_cell_formula_units_Z [1]
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  0.1602  0.5000  0.8991  1.0
  Na  Na1  2  0.2966  0.5000  0.4464  1.0
  Tl  Tl2  2  0.0599  0.0000  0.6420  1.0
  In  In3  2  0.2037  0.0000  0.1667  1.0
  In  In4  2  0.4335  0.0000  0.7164  1.0
  In  In5  1  0.5000  0.0000  0.0000  1.0
]