data_[Cs44Te4Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Te  2.1000  1.4000  1.2933
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [13.9879]
_cell_length_b [17.9426]
_cell_length_c [18.7646]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Cs11TeAu2]
_chemical_formula_sum '[Cs44 Te4 Au8]'
_cell_volume [4709.5138]
_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  16  0.0948  0.3198  0.1486  1
  Cs  Cs1  16  0.2246  0.4340  0.3623  1
  Cs  Cs2  8  0.1388  0.7864  0.0000  1
  Cs  Cs3  4  0.0000  0.0000  0.0000  1
  Te  Te4  4  0.0000  0.5000  0.2500  1
  Au  Au5  8  0.1336  0.1811  0.0000  1
]