data_[Na4Tl5Bi1]
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
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0666]
_cell_length_b [4.0666]
_cell_length_c [17.9717]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Na4Tl5Bi]
_chemical_formula_sum '[Na4 Tl5 Bi1]'
_cell_volume [297.1975]
_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  0.0000  0.0000  0.1992  1.0
  Na  Na1  2  0.0000  0.0000  0.3997  1.0
  Tl  Tl2  2  0.5000  0.5000  0.0998  1.0
  Tl  Tl3  2  0.5000  0.5000  0.3027  1.0
  Tl  Tl4  1  0.5000  0.5000  0.5000  1.0
  Bi  Bi5  1  0.0000  0.0000  0.0000  1.0
]