data_[Hf4Cu4Bi8S20]
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
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.7130]
_cell_length_b [16.6099]
_cell_length_c [13.0515]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [HfCuBi2S5]
_chemical_formula_sum '[Hf4 Cu4 Bi8 S20]'
_cell_volume [804.9092]
_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
[
  Hf  Hf0  4  0.0000  0.3093  0.5227  1.0
  Cu  Cu1  4  0.0000  0.0657  0.9444  1.0
  Bi  Bi2  4  0.0000  0.3796  0.8148  1.0
  Bi  Bi3  4  0.0000  0.3900  0.1500  1.0
  S  S4  4  0.0000  0.0050  0.2926  1.0
  S  S5  4  0.0000  0.1454  0.5006  1.0
  S  S6  4  0.0000  0.1978  0.8907  1.0
  S  S7  4  0.0000  0.2212  0.1601  1.0
  S  S8  4  0.0000  0.4553  0.5480  1.0
]