data_[Na6Si2Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Si  1.9000  1.1000  0.5400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [12.4628]
_cell_length_b [6.5846]
_cell_length_c [6.4347]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Na3SiTe4]
_chemical_formula_sum '[Na6 Si2 Te8]'
_cell_volume [528.0504]
_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  0.2471  0.7820  0.1028  1.0
  Na  Na1  2  0.0000  0.7235  0.5305  1.0
  Si  Si2  2  0.0000  0.1498  0.9661  1.0
  Te  Te3  4  0.1796  0.2814  0.1023  1.0
  Te  Te4  2  0.0000  0.2257  0.5810  1.0
  Te  Te5  2  0.0000  0.7716  0.0274  1.0
]