data_[Cs4Au6Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Au  2.5400  1.3500  1.0700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.7843]
_cell_length_b [9.9265]
_cell_length_c [8.7011]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.5748]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Au3Se4]
_chemical_formula_sum '[Cs4 Au6 Se8]'
_cell_volume [766.9438]
_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
[
  Cs  Cs0  4  0.2265  0.5000  0.3190  1.0
  Au  Au1  4  0.2500  0.2500  0.0000  1.0
  Au  Au2  2  0.0000  0.0000  0.0000  1.0
  Se  Se3  8  0.0060  0.1733  0.2169  1.0
]