data_[Na1Sb1S2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.1515]
_cell_length_b [3.9751]
_cell_length_c [6.0315]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.1364]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [NaSbS2]
_chemical_formula_sum '[Na1 Sb1 S2]'
_cell_volume [99.4668]
_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  0.3868  0.0000  0.1036  1.0
  Sb  Sb1  1  0.8423  0.5000  0.6586  1.0
  S  S2  1  0.4371  0.0000  0.5963  1.0
  S  S3  1  0.8845  0.5000  0.0542  1.0
]