data_[Cs12H2Au4Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  H  2.2000  0.2500  0.0000
  Au  2.5400  1.3500  1.0700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.7051]
_cell_length_b [9.2483]
_cell_length_c [14.9797]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.9480]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cs6HAu2Se]
_chemical_formula_sum '[Cs12 H2 Au4 Se2]'
_cell_volume [1023.3037]
_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  0.1210  0.1966  0.9389  1.0
  Cs  Cs1  4  0.2310  0.6874  0.9310  1.0
  Cs  Cs2  4  0.3682  0.0480  0.7402  1.0
  H  H3  2  0.0000  0.0000  0.5000  1.0
  Au  Au4  4  0.2002  0.0840  0.2375  1.0
  Se  Se5  2  0.5000  0.0000  0.0000  1.0
]