data_[Cs2Au2Se8]
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 [7.6940]
_cell_length_b [7.2224]
_cell_length_c [7.8450]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.6628]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsAuSe4]
_chemical_formula_sum '[Cs2 Au2 Se8]'
_cell_volume [432.9981]
_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  2  0.0000  0.5000  0.5000  1
  Au  Au1  2  0.0000  0.0000  0.0000  1
  Se  Se2  4  0.0726  0.0000  0.6927  1
  Se  Se3  4  0.1905  0.5000  0.0763  1
]