data_[Na8Ga4S8]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.6138]
_cell_length_b [14.8845]
_cell_length_c [6.5601]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Na2GaS2]
_chemical_formula_sum '[Na8 Ga4 S8]'
_cell_volume [450.5111]
_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  0.0238  0.7858  1
  Na  Na1  4  0.0000  0.2053  0.0830  1
  Ga  Ga2  4  0.0000  0.4020  0.9389  1
  S  S3  4  0.0000  0.1538  0.4927  1
  S  S4  4  0.0000  0.4396  0.5652  1
]