data_[Na4Tl5In2]
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 [8.3718]
_cell_length_b [3.4732]
_cell_length_c [10.8533]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.2124]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Na4Tl5In2]
_chemical_formula_sum '[Na4 Tl5 In2]'
_cell_volume [314.7259]
_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  0.1712  0.5000  0.8893  1
  Na  Na1  2  0.2863  0.5000  0.4374  1
  Tl  Tl2  2  0.1831  0.0000  0.1596  1
  Tl  Tl3  2  0.4307  0.0000  0.7017  1
  Tl  Tl4  1  0.5000  0.0000  0.0000  1
  In  In5  2  0.0596  0.0000  0.6342  1
]