data_global
_chemical_name_mineral 'Shandite'
loop_
_publ_author_name
'Peacock M A'
'McAndrew J'
_journal_name_full 'American Mineralogist'
_journal_volume 35
_journal_year 1950
_journal_page_first 425
_journal_page_last 439
_publ_section_title
;
 On parkerite and shandite and the crystal structure of Ni3Pb2S2
;
_database_code_amcsd 51
_chemical_formula_sum 'Pb2 Ni3 S2'
_cell_length_a 5.576
_cell_length_b 5.576
_cell_length_c 5.576
_cell_angle_alpha 60.0
_cell_angle_beta 60.0
_cell_angle_gamma 60.0
_cell_volume 122.59
_exptl_crystal_density_diffrn  8.867
_symmetry_space_group_name_H-M 'R -3 m '
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-z,-y'
  '-z,-x,-y'
  'y,x,z'
  'y,z,x'
  '-z,-y,-x'
  '-x,-y,-z'
  'x,z,y'
  'z,x,y'
  '-y,-x,-z'
  '-y,-z,-x'
  'z,y,x'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Pb1   0.0  0.0  0.0
Pb2   0.5  0.5  0.5
Ni   0.5  0.0  0.0
S   0.285  0.285  0.285