data_[Cs2Hf2Cu2Se8]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.8947]
_cell_length_b [5.6048]
_cell_length_c [10.1824]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.8895]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsHfCuSe4]
_chemical_formula_sum '[Cs2 Hf2 Cu2 Se8]'
_cell_volume [378.4511]
_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  0.2229  0.2500  0.0468  1
  Hf  Hf1  2  0.2692  0.2500  0.5546  1
  Cu  Cu2  2  0.2849  0.7500  0.3373  1
  Se  Se3  4  0.0037  0.5102  0.6717  1
  Se  Se4  2  0.4344  0.7500  0.5796  1
  Se  Se5  2  0.4958  0.7500  0.1926  1
]