data_[Na4Sn4Au4Se4S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sn  1.9600  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.8279]
_cell_length_b [14.8578]
_cell_length_c [10.3255]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [NaSnAuSeS2]
_chemical_formula_sum '[Na4 Sn4 Au4 Se4 S8]'
_cell_volume [587.2594]
_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  0.2928  0.2500  1
  Sn  Sn1  4  0.0000  0.0000  0.0000  1
  Au  Au2  4  0.0000  0.3687  0.7500  1
  Se  Se3  4  0.0000  0.0602  0.7500  1
  S  S4  8  0.0000  0.3760  0.5259  1
]