data_[Cs2Hf2Au2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Hf  1.3000  1.5500  0.8500
  Au  2.5400  1.3500  1.0700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.1561]
_cell_length_b [3.9921]
_cell_length_c [10.5240]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.9716]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsHfAuSe3]
_chemical_formula_sum '[Cs2 Hf2 Au2 Se6]'
_cell_volume [348.7199]
_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  0.2447  0.7500  0.7723  1.0
  Hf  Hf1  2  0.3112  0.2500  0.3357  1.0
  Au  Au2  2  0.0769  0.7500  0.1105  1.0
  Se  Se3  2  0.1259  0.7500  0.3701  1.0
  Se  Se4  2  0.2586  0.2500  0.0694  1.0
  Se  Se5  2  0.4689  0.2500  0.6269  1.0
]