data_[Na10Sn4Se10]
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 [C2/m]
_cell_length_a [13.9827]
_cell_length_b [4.2282]
_cell_length_c [12.2958]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3526]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na5Sn2Se5]
_chemical_formula_sum '[Na10 Sn4 Se10]'
_cell_volume [685.8797]
_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  4  0.1559  0.5000  0.0473  1.0
  Na  Na1  4  0.2344  0.5000  0.3617  1.0
  Na  Na2  2  0.0000  0.5000  0.5000  1.0
  Sn  Sn3  4  0.0472  0.0000  0.7900  1.0
  Se  Se4  4  0.1060  0.0000  0.4081  1.0
  Se  Se5  4  0.1860  0.5000  0.7963  1.0
  Se  Se6  2  0.0000  0.0000  0.0000  1.0
]