data_[Cs4Hf4Te12Au4]
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
  Te  2.1000  1.4000  1.2933
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.4142]
_cell_length_b [4.1228]
_cell_length_c [9.7133]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.9221]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsHfTe3Au]
_chemical_formula_sum '[Cs4 Hf4 Te12 Au4]'
_cell_volume [777.0224]
_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  0.1386  0.0000  0.1013  1
  Hf  Hf1  4  0.1516  0.0000  0.5907  1
  Te  Te2  4  0.1791  0.5000  0.7932  1
  Te  Te3  4  0.1879  0.5000  0.3973  1
  Te  Te4  2  0.0000  0.0000  0.5000  1
  Te  Te5  2  0.0000  0.5000  0.0000  1
  Au  Au6  4  0.0435  0.5000  0.7106  1
]