data_[Na2Sb2S2]
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 [P2_1/m]
_cell_length_a [4.3971]
_cell_length_b [4.3231]
_cell_length_c [8.5680]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.9824]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaSbS]
_chemical_formula_sum '[Na2 Sb2 S2]'
_cell_volume [162.6509]
_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  2  0.2715  0.7500  0.6434  1.0
  Sb  Sb1  2  0.2207  0.7500  0.0232  1.0
  S  S2  2  0.2478  0.7500  0.3080  1.0
]