data_[Na1Te1S2]
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 [Pm]
_cell_length_a [4.1333]
_cell_length_b [4.4951]
_cell_length_c [5.7705]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.3404]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [NaTeS2]
_chemical_formula_sum '[Na1 Te1 S2]'
_cell_volume [106.7483]
_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  0.1753  0.0000  0.6232  1.0
  Te  Te1  1  0.5778  0.5000  0.1770  1.0
  S  S2  1  0.2825  0.0000  0.1309  1.0
  S  S3  1  0.6870  0.5000  0.5876  1.0
]