data_image0
_chemical_formula_structural       Hf2Ba2Cu4S8
_chemical_formula_sum              "Hf2 Ba2 Cu4 S8"
_cell_length_a       8.730943291613032
_cell_length_b       6.110124890146341
_cell_length_c       6.761021851087675
_cell_angle_alpha    89.99995905511298
_cell_angle_beta     90.0
_cell_angle_gamma    90.0

_space_group_name_H-M_alt    "P 1"
_space_group_IT_number       1

loop_
  _space_group_symop_operation_xyz
  '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  Hf1       1.0  0.49999999999999994  0.22328800965977036  0.482204176051951  1.0000
  Hf  Hf2       1.0  0.0  0.7767121041221955  0.9822039894088793  1.0000
  Ba  Ba1       1.0  0.5000000000000004  0.749003592646926  0.9636003437145712  1.0000
  Ba  Ba2       1.0  0.0  0.25099741376649876  0.4636002255663414  1.0000
  Cu  Cu1       1.0  0.74542421987797  0.6770305394215917  0.510391339585464  1.0000
  Cu  Cu2       1.0  0.2545757801220296  0.6770305394215917  0.510391339585464  1.0000
  Cu  Cu3       1.0  0.7545757649792143  0.3229696503595225  0.010391412011475198  1.0000
  Cu  Cu4       1.0  0.24542423502078478  0.3229696503595225  0.010391412011475198  1.0000
  S   S1        1.0  0.49999999999999994  0.24706679417463487  0.12346046600485878  1.0000
  S   S2        1.0  0.0  0.7529339168383318  0.6234601884714639  1.0000
  S   S3        1.0  0.5000000000000004  0.8371032507105547  0.5183451404835294  1.0000
  S   S4        1.0  0.0  0.1628966687333105  0.018345734887300433  1.0000
  S   S5        1.0  0.7932765257114106  0.6458608041736877  0.17822139959172634  1.0000
  S   S6        1.0  0.20672347428858867  0.6458608041736877  0.17822139959172634  1.0000
  S   S7        1.0  0.7067235064525085  0.35413906231071307  0.678221507654931  1.0000
  S   S8        1.0  0.2932764935474893  0.35413906231071307  0.678221507654931  1.0000