data_[Na2Tl4In4Se8]
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
  In  1.7800  1.5500  0.9400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.2419]
_cell_length_b [4.6824]
_cell_length_c [7.6464]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4029]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaTl2(InSe2)2]
_chemical_formula_sum '[Na2 Tl4 In4 Se8]'
_cell_volume [560.6324]
_cell_formula_units_Z [2]
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  0.0000  1.0
  Tl  Tl1  4  0.1165  0.0000  0.5562  1.0
  In  In2  4  0.1660  0.5000  0.0077  1.0
  Se  Se3  4  0.0260  0.5000  0.7477  1.0
  Se  Se4  4  0.2080  0.0000  0.1885  1.0
]