data_global
_chemical_name_mineral 'Molybdenite'
loop_
_publ_author_name
'Schonfeld B'
'Huang J J'
'Moss S C'
_journal_name_full 'Acta Crystallographica, Section B'
_journal_volume 39 
_journal_year 1983
_journal_page_first 404
_journal_page_last 407
_publ_section_title
;
 Anisotropic mean-square displacements (MSD) in single crystals
 of 2H- and 3R-MoS2
 Note: 2H polytype, this is the most common in nature
;
_database_code_amcsd 0009788
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Mo S2'
_cell_length_a 3.161
_cell_length_b 3.161
_cell_length_c 12.295
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 106.392
_exptl_crystal_density_diffrn      4.997
_symmetry_space_group_name_H-M 'P 63/m m c'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-x+y,1/2+z'
  'x,x-y,1/2-z'
  '-x+y,-x,1/2-z'
  'x-y,x,1/2+z'
  '-y,-x,z'
  'y,x,-z'
  'y,-x+y,-z'
  '-y,x-y,z'
  'x-y,-y,1/2+z'
  '-x+y,y,1/2-z'
  'x,y,1/2-z'
  '-x,-y,1/2+z'
  'x,x-y,z'
  '-x,-x+y,-z'
  'x-y,x,-z'
  '-x+y,-x,z'
  'y,x,1/2+z'
  '-y,-x,1/2-z'
  '-y,x-y,1/2-z'
  'y,-x+y,1/2+z'
  '-x+y,y,z'
  'x-y,-y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Mo   0.33333   0.66667   0.25000
S   0.33333   0.66667   0.62750