data_global
_chemical_name_mineral 'Moschelite'
loop_
_publ_author_name
'Havighurst R'
_journal_name_full 'Journal of the American Chemical Society'
_journal_volume 48 
_journal_year 1926
_journal_page_first 2113
_journal_page_last 2125
_publ_section_title
;
 Parameters in crystal structure. The mercurous halides
 _cod_database_code 1011078
;
_database_code_amcsd 0017976
_chemical_formula_sum 'Hg I'
_cell_length_a 4.92
_cell_length_b 4.92
_cell_length_c 11.61
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 281.036
_exptl_crystal_density_diffrn      7.740
_symmetry_space_group_name_H-M 'P 42/m n m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-y,-x,z'
  'y,x,-z'
  '1/2+y,1/2-x,1/2-z'
  '1/2-y,1/2+x,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-z'
  'x,y,-z'
  '-x,-y,z'
  'y,x,z'
  '-y,-x,-z'
  '1/2-y,1/2+x,1/2-z'
  '1/2+y,1/2-x,1/2+z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Hg1   0.00000   0.00000   0.11600
I1   0.00000   0.00000   0.34700