data_[Cs4Y4Hf4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Y  1.2200  1.8000  1.0400
  Hf  1.3000  1.5500  0.8500
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.4976]
_cell_length_b [17.5408]
_cell_length_c [11.5409]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CsYHfTe3]
_chemical_formula_sum '[Cs4 Y4 Hf4 Te12]'
_cell_volume [910.4725]
_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  0.0000  0.2461  0.7500  1
  Y  Y1  4  0.0000  0.5000  0.0000  1
  Hf  Hf2  4  0.0000  0.0311  0.2500  1
  Te  Te3  8  0.0000  0.1206  0.0518  1
  Te  Te4  4  0.0000  0.4335  0.2500  1
]