data_[Na8Sn2Se10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [I4]
_cell_length_a [9.3660]
_cell_length_b [9.3660]
_cell_length_c [6.1338]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [79]
_chemical_formula_structural [Na4SnSe5]
_chemical_formula_sum '[Na8 Sn2 Se10]'
_cell_volume [538.0693]
_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  8  0.0939  0.7024  0.4963  1
  Sn  Sn1  2  0.0000  0.0000  0.0704  1
  Se  Se2  8  0.0839  0.7318  0.9908  1
  Se  Se3  2  0.0000  0.0000  0.4915  1
]