data_[Na4Tl8Zn4Se16]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [9.0946]
_cell_length_b [9.5901]
_cell_length_c [11.3775]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [42]
_chemical_formula_structural [NaTl2ZnSe4]
_chemical_formula_sum '[Na4 Tl8 Zn4 Se16]'
_cell_volume [992.3237]
_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  0.0000  0.0000  0.9921  1.0
  Tl  Tl1  8  0.2500  0.2500  0.2450  1.0
  Zn  Zn2  4  0.0000  0.0000  0.4992  1.0
  Se  Se3  8  0.0000  0.2236  0.3890  1.0
  Se  Se4  8  0.2271  0.0000  0.6202  1.0
]