data_[Cs2Hf2Cu2Te6]
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
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.9999]
_cell_length_b [4.1881]
_cell_length_c [10.8742]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.0764]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsHfCuTe3]
_chemical_formula_sum '[Cs2 Hf2 Cu2 Te6]'
_cell_volume [409.0572]
_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  0.2382  0.2500  0.2607  1.0
  Hf  Hf1  2  0.3064  0.7500  0.8304  1.0
  Cu  Cu2  2  0.0870  0.2500  0.6021  1.0
  Te  Te3  2  0.1188  0.2500  0.8547  1.0
  Te  Te4  2  0.2137  0.7500  0.5465  1.0
  Te  Te5  2  0.4739  0.7500  0.1371  1.0
]