data_[Na2Tl2W2Se8]
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
  W  2.3600  1.3500  0.7667
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.0694]
_cell_length_b [7.2894]
_cell_length_c [8.9980]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6297]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaTlWSe4]
_chemical_formula_sum '[Na2 Tl2 W2 Se8]'
_cell_volume [441.9073]
_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  0.2355  0.2500  0.5475  1.0
  Tl  Tl1  2  0.2431  0.2500  0.0603  1.0
  W  W2  2  0.2144  0.7500  0.3148  1.0
  Se  Se3  4  0.0014  0.0062  0.2565  1.0
  Se  Se4  2  0.3942  0.7500  0.5772  1.0
  Se  Se5  2  0.4161  0.7500  0.1513  1.0
]