data_[Na1Te2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Te  2.1000  1.4000  1.2933
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.0536]
_cell_length_b [6.8252]
_cell_length_c [8.3102]
_cell_angle_alpha [76.6427]
_cell_angle_beta [89.4619]
_cell_angle_gamma [79.1989]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na(TeS3)2]
_chemical_formula_sum '[Na1 Te2 S6]'
_cell_volume [273.7669]
_cell_formula_units_Z [1]
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  1  0.9629  0.7860  0.0352  1
  Te  Te1  1  0.4078  0.8221  0.5985  1
  Te  Te2  1  0.6040  0.4078  0.1788  1
  S  S3  1  0.0252  0.1818  0.1101  1
  S  S4  1  0.2218  0.5879  0.4091  1
  S  S5  1  0.2590  0.3803  0.9793  1
  S  S6  1  0.6989  0.0231  0.7315  1
  S  S7  1  0.8214  0.7077  0.3761  1
  S  S8  1  0.9989  0.1032  0.5815  1
]