data_[Cs4Tm4Hf2Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tm  1.2500  1.7500  1.0950
  Hf  1.3000  1.5500  0.8500
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.4988]
_cell_length_b [12.9550]
_cell_length_c [9.5294]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.9324]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Tm2HfTe6]
_chemical_formula_sum '[Cs4 Tm4 Hf2 Te12]'
_cell_volume [890.1852]
_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  4  0.0000  0.1702  0.0000  1
  Tm  Tm1  4  0.0000  0.3320  0.5000  1
  Hf  Hf2  2  0.0000  0.0000  0.5000  1
  Te  Te3  8  0.2261  0.1585  0.6855  1
  Te  Te4  4  0.2429  0.5000  0.6835  1
]