data_[Cs1Hf3Te5]
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
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [6.3363]
_cell_length_b [6.3363]
_cell_length_c [8.6060]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [191]
_chemical_formula_structural [CsHf3Te5]
_chemical_formula_sum '[Cs1 Hf3 Te5]'
_cell_volume [299.2232]
_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  0.0000  0.0000  0.0000  1
  Hf  Hf1  3  0.0000  0.5000  0.5000  1
  Te  Te2  4  0.3333  0.6667  0.2399  1
  Te  Te3  1  0.0000  0.0000  0.5000  1
]