data_[Cs4Hf2Te6]
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 [P2_1/m]
_cell_length_a [9.2478]
_cell_length_b [4.3723]
_cell_length_c [12.2600]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.9918]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Cs2HfTe3]
_chemical_formula_sum '[Cs4 Hf2 Te6]'
_cell_volume [492.0347]
_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  2  0.2495  0.2500  0.5227  1
  Cs  Cs1  2  0.4226  0.7500  0.8605  1
  Hf  Hf2  2  0.0923  0.7500  0.1640  1
  Te  Te3  2  0.0429  0.7500  0.7236  1
  Te  Te4  2  0.1733  0.2500  0.0158  1
  Te  Te5  2  0.3554  0.7500  0.2966  1
]