data_[Ce4Hf4Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  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 [5.3839]
_cell_length_b [5.3720]
_cell_length_c [10.0241]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.8995]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CeHfTe]
_chemical_formula_sum '[Ce4 Hf4 Te4]'
_cell_volume [289.5473]
_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
[
  Ce  Ce0  4  0.2097  0.0000  0.0712  1
  Hf  Hf1  4  0.2401  0.0000  0.4184  1
  Te  Te2  4  0.2278  0.5000  0.2682  1
]