data_global
_chemical_name_mineral 'Hrabakite'
loop_
_publ_author_name
'Sejkora J'
'Skacha P'
'Plasil J'
'Dolnicek Z'
'Ulmanova J'
_journal_name_full 'Mineralogical Magazine'
_journal_volume 85 
_journal_year 2021
_journal_page_first 189
_journal_page_last 196
_publ_section_title
;
 Hrabakite, Ni9PbSbS8, a new member of the hauchecornite group from Pribram,
 Czech Republic
;
_database_code_amcsd 0020959
_chemical_compound_source 'Pribram, Czech Republic'
_chemical_formula_sum '(Sb1.039 Pb.961) Ni8.84 Co.08 Fe.08 S8'
_cell_length_a 7.3085
_cell_length_b 7.3085
_cell_length_c 5.3969
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 288.271
_exptl_crystal_density_diffrn      6.395
_symmetry_space_group_name_H-M 'P 4/m m m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-y,-x,z'
  'y,x,-z'
  'y,-x,-z'
  '-y,x,z'
  'x,-y,z'
  '-x,y,-z'
  'x,y,-z'
  '-x,-y,z'
  'y,x,z'
  '-y,-x,-z'
  '-y,x,-z'
  'y,-x,z'
  '-x,y,z'
  'x,-y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Sb1   0.00000   0.00000   0.00000   0.30200   0.01040
Pb1   0.00000   0.00000   0.00000   0.69800   0.01040
Sb2   0.50000   0.50000   0.50000   0.73700   0.01010
Pb2   0.50000   0.50000   0.50000   0.26300   0.01010
Ni3   0.00000   0.00000   0.50000   0.92000   0.00800
Co3   0.00000   0.00000   0.50000   0.08000   0.00800
Ni4   0.50000   0.81894   0.25308   0.99000   0.01210
Fe4   0.50000   0.81894   0.25308   0.01000   0.01210
S1   0.68790   0.00000   0.50000   1.00000   0.00740
S2   0.27080   0.72920   0.00000   1.00000   0.00980
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Sb1 0.01090 0.01090 0.00950 0.00000 0.00000 0.00000
Pb1 0.01090 0.01090 0.00950 0.00000 0.00000 0.00000
Sb2 0.00930 0.00930 0.01180 0.00000 0.00000 0.00000
Pb2 0.00930 0.00930 0.01180 0.00000 0.00000 0.00000
Ni3 0.00680 0.00680 0.01030 0.00000 0.00000 0.00000
Co3 0.00680 0.00680 0.01030 0.00000 0.00000 0.00000
Ni4 0.00930 0.01820 0.00900 0.00000 0.00000 -0.00250
Fe4 0.00930 0.01820 0.00900 0.00000 0.00000 -0.00250
S1 0.00540 0.00830 0.00860 0.00000 0.00000 0.00000
S2 0.00950 0.00950 0.01030 -0.00190 0.00000 0.00000