data_[Na2Tl1Zn1O4]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.5858]
_cell_length_b [3.3018]
_cell_length_c [5.8118]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2020]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Na2TlZnO4]
_chemical_formula_sum '[Na2 Tl1 Zn1 O4]'
_cell_volume [101.8270]
_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  1  0.0000  0.5000  0.5000  1
  Na  Na1  1  0.5000  0.0000  0.5000  1
  Tl  Tl2  1  0.5000  0.5000  0.0000  1
  Zn  Zn3  1  0.0000  0.0000  0.0000  1
  O  O4  2  0.2279  0.5000  0.2123  1
  O  O5  2  0.2397  0.0000  0.7808  1
]