data_[Na4Sn4Te8]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.0720]
_cell_length_b [4.7500]
_cell_length_c [16.0383]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [NaSnTe2]
_chemical_formula_sum '[Na4 Sn4 Te8]'
_cell_volume [538.7628]
_cell_formula_units_Z [4]
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  0.1030  0.7500  0.1614  1.0
  Sn  Sn1  4  0.1054  0.2500  0.4084  1.0
  Te  Te2  4  0.1396  0.7500  0.7491  1.0
  Te  Te3  4  0.2162  0.2500  0.9946  1.0
]