data_[Sr4Ag4Au4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ag  1.9300  1.6000  1.0867
  Au  2.5400  1.3500  1.0700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0476]
_cell_length_b [12.8885]
_cell_length_c [9.6580]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [SrAgAuS3]
_chemical_formula_sum '[Sr4 Ag4 Au4 S12]'
_cell_volume [503.8300]
_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
[
  Sr  Sr0  4  0.0000  0.2474  0.7500  1
  Ag  Ag1  4  0.0000  0.4619  0.2500  1
  Au  Au2  4  0.0000  0.0000  0.0000  1
  S  S3  8  0.0000  0.3525  0.0332  1
  S  S4  4  0.0000  0.0779  0.2500  1
]