data_[Na1Tl2Ag1I4]
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
  Ag  1.9300  1.6000  1.0867
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [8.1281]
_cell_length_b [4.6780]
_cell_length_c [8.4358]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8296]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [NaTl2AgI4]
_chemical_formula_sum '[Na1 Tl2 Ag1 I4]'
_cell_volume [303.5938]
_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  0.5000  0.0000  0.5000  1.0
  Tl  Tl1  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  1  0.5000  0.5000  0.0000  1.0
  Ag  Ag3  1  0.0000  0.5000  0.5000  1.0
  I  I4  2  0.2279  0.0000  0.7119  1.0
  I  I5  2  0.2535  0.5000  0.2821  1.0
]