data_[Na8Ta4Ga4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ta  1.5000  1.4500  0.8200
  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 [3.6131]
_cell_length_b [16.9955]
_cell_length_c [13.2976]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Na2TaGaS5]
_chemical_formula_sum '[Na8 Ta4 Ga4 S20]'
_cell_volume [816.5522]
_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  0.0794  0.6590  1.0
  Na  Na1  4  0.0000  0.1184  0.3190  1.0
  Ta  Ta2  4  0.0000  0.2339  0.0356  1.0
  Ga  Ga3  4  0.0000  0.4287  0.4246  1.0
  S  S4  4  0.0000  0.0711  0.0339  1.0
  S  S5  4  0.0000  0.2776  0.6592  1.0
  S  S6  4  0.0000  0.2892  0.4028  1.0
  S  S7  4  0.0000  0.3643  0.0061  1.0
  S  S8  4  0.0000  0.4955  0.2837  1.0
]