data_[Rh2Au2S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rh  2.2800  1.3500  0.7450
  Au  2.5400  1.3500  1.0700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [6.8662]
_cell_length_b [3.5990]
_cell_length_c [6.2514]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.4786]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [RhAuS2]
_chemical_formula_sum '[Rh2 Au2 S4]'
_cell_volume [152.7914]
_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
[
  Rh  Rh0  2  0.5000  0.2485  0.2500  1.0
  Au  Au1  2  0.0000  0.0000  0.0000  1.0
  S  S2  4  0.3247  0.2323  0.5529  1.0
]