data_NaSbS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.88
_cell_length_b   5.88
_cell_length_c   6.87
_cell_angle_alpha   113.58
_cell_angle_beta   113.58
_cell_angle_gamma   89.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSbS2
_chemical_formula_sum   'Na2 Sb2 S4'
_cell_volume   195.7
_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  1  0.24  0.1  0.25  1.0
  Na  Na1  1  0.18  0.9  0.42  1.0
  Sb  Sb6  1  0.24  0.71  0.25  1.0
  Sb  Sb7  1  0.18  0.29  0.42  1.0
  S  S2  1  0.52  0.26  0.31  1.0
  S  S3  1  0.96  0.26  0.2  1.0
  S  S4  1  0.46  0.74  0.47  1.0
  S  S5  1  0.91  0.74  0.36  1.0

data_NaSbS2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.88
_cell_length_b   5.88
_cell_length_c   6.87
_cell_angle_alpha   66.42
_cell_angle_beta   66.42
_cell_angle_gamma   89.97
_symmetry_Int_Tables_number   2
_chemical_formula_structural   NaSbS2
_chemical_formula_sum   'Na2 Sb2 S4'
_cell_volume   195.7
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.47  0.9  0.92  1.0
  Sb  Sb1  2  0.47  0.29  0.92  1.0
  S  S2  2  0.2  0.74  0.97  1.0
  S  S3  2  0.25  0.26  0.14  1.0

Na Na Sb Sb S S S S