data_[Hf2Cu4Bi4S4O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Cu  1.9000  1.3500  0.8200
  Bi  2.0200  1.6000  1.0350
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.7466]
_cell_length_b [3.7466]
_cell_length_c [22.9787]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [HfCu2Bi2(SO2)2]
_chemical_formula_sum '[Hf2 Cu4 Bi4 S4 O8]'
_cell_volume [322.5560]
_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
[
  Hf  Hf0  2  0.0000  0.0000  0.0000  1.0
  Cu  Cu1  4  0.0000  0.5000  0.2500  1.0
  Bi  Bi2  4  0.0000  0.0000  0.3876  1.0
  S  S3  4  0.0000  0.0000  0.1846  1.0
  O  O4  8  0.0000  0.5000  0.0537  1.0
]