data_[Na2Tl10Se10]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.5737]
_cell_length_b [5.9278]
_cell_length_c [8.9053]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2513]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na(TlSe)5]
_chemical_formula_sum '[Na2 Tl10 Se10]'
_cell_volume [687.9048]
_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  0.1700  0.5000  0.3223  1.0
  Tl  Tl2  4  0.1795  0.5000  0.8669  1.0
  Tl  Tl3  2  0.0000  0.0000  0.5000  1.0
  Se  Se4  4  0.1642  0.0000  0.8313  1.0
  Se  Se5  4  0.1706  0.0000  0.3308  1.0
  Se  Se6  2  0.0000  0.5000  0.0000  1.0
]