data_[Na2Ti2Au2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ti  1.5400  1.4000  0.8517
  Au  2.5400  1.3500  1.0700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.6326]
_cell_length_b [3.5604]
_cell_length_c [9.2496]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.3355]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaTiAuS3]
_chemical_formula_sum '[Na2 Ti2 Au2 S6]'
_cell_volume [243.5286]
_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  0.3038  0.2500  0.2733  1
  Ti  Ti1  2  0.1716  0.7500  0.6547  1
  Au  Au2  2  0.3699  0.2500  0.9493  1
  S  S3  2  0.0654  0.7500  0.3777  1
  S  S4  2  0.1489  0.7500  0.9083  1
  S  S5  2  0.3822  0.2500  0.6406  1
]