data_[Cs1As2Au2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  As  2.1800  1.1500  0.6600
  Au  2.5400  1.3500  1.0700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.3897]
_cell_length_b [8.4890]
_cell_length_c [8.5197]
_cell_angle_alpha [117.9443]
_cell_angle_beta [108.1891]
_cell_angle_gamma [94.3209]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsAs2(AuSe3)2]
_chemical_formula_sum '[Cs1 As2 Au2 Se6]'
_cell_volume [432.6242]
_cell_formula_units_Z [1]
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  1  0.5000  0.5000  0.0000  1.0
  As  As1  2  0.2890  0.7442  0.5558  1.0
  Au  Au2  2  0.0236  0.9526  0.2764  1.0
  Se  Se3  2  0.0655  0.7762  0.7232  1.0
  Se  Se4  2  0.0979  0.6647  0.2316  1.0
  Se  Se5  2  0.3102  0.4331  0.4732  1.0
]