data_[Na4Tl4Zn4]
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
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.8432]
_cell_length_b [4.2953]
_cell_length_c [5.7685]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.4846]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaTlZn]
_chemical_formula_sum '[Na4 Tl4 Zn4]'
_cell_volume [314.7405]
_cell_formula_units_Z [4]
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  0.1282  0.0000  0.8408  1.0
  Tl  Tl1  4  0.0731  0.5000  0.2779  1.0
  Zn  Zn2  4  0.2240  0.0000  0.3812  1.0
]