data_[Cs4Sn4Au4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sn  1.9600  1.4500  0.8300
  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 [14.6506]
_cell_length_b [8.0319]
_cell_length_c [8.1706]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.0462]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsSnAuSe3]
_chemical_formula_sum '[Cs4 Sn4 Au4 Se12]'
_cell_volume [891.1499]
_cell_formula_units_Z [4]
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  0.1567  0.5000  0.2550  1.0
  Sn  Sn1  4  0.0724  0.0000  0.8726  1.0
  Au  Au2  4  0.0000  0.2787  0.5000  1.0
  Se  Se3  8  0.1333  0.2740  0.7907  1.0
  Se  Se4  4  0.1179  0.0000  0.2161  1.0
]