data_global
_chemical_name_mineral 'Nickelite'
loop_
_publ_author_name
'Ondrus P'
'Veselovsky F'
'Gabasova A'
'Hlousek J'
'Srein V'
'Vavrnn I'
'Skala R'
'Sejkora J'
'Drabek M'
_journal_name_full 'Journal of the Czech Geological Society'
_journal_volume 48 
_journal_year 2003
_journal_page_first 19
_journal_page_last 147
_publ_section_title
;
 Primary minerals of the Jachymov ore district
 Sample MP511
;
_database_code_amcsd 0017594
_chemical_compound_source 'Jachymov, Bohemia, Czech Republic'
_chemical_formula_sum 'Ni.97 Co.01 As S.02'
_cell_length_a 3.6190
_cell_length_b 3.6190
_cell_length_c 5.036
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 57.121
_exptl_crystal_density_diffrn      7.738
_symmetry_space_group_name_H-M 'P 63 m c'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-x+y,1/2+z'
  'x-y,x,1/2+z'
  '-y,-x,z'
  '-y,x-y,z'
  'x-y,-y,1/2+z'
  '-x,-y,1/2+z'
  'x,x-y,z'
  '-x+y,-x,z'
  'y,x,1/2+z'
  'y,-x+y,1/2+z'
  '-x+y,y,z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ni   0.00000   0.00000   0.00000   0.97000
Co   0.00000   0.00000   0.00000   0.01000
As   0.33333   0.66667   0.25000   1.00000
S   0.33333   0.66667   0.25000   0.02000