data_[Na4Ga8As4S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ga  1.8100  1.3000  0.7600
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.1919]
_cell_length_b [13.7344]
_cell_length_c [6.5535]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.2744]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NaGa2AsS6]
_chemical_formula_sum '[Na4 Ga8 As4 S24]'
_cell_volume [1015.4872]
_cell_formula_units_Z [4]
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  4  0.0000  0.3421  0.2500  1.0
  Ga  Ga1  8  0.2431  0.4263  0.9276  1.0
  As  As2  4  0.0000  0.2172  0.7500  1.0
  S  S3  8  0.0695  0.1277  0.0505  1.0
  S  S4  8  0.1394  0.2984  0.6855  1.0
  S  S5  8  0.2069  0.4302  0.2412  1.0
]