data_global
_chemical_name_mineral 'Adamantane'
loop_
_publ_author_name
'Donohue J'
'Goodman S H'
_journal_name_full 'Acta Crystallographica'
_journal_volume 22 
_journal_year 1967
_journal_page_first 352
_journal_page_last 354
_publ_section_title
;
 The crystal structure of adamantane:
 An example of a false minimum in least squares
 Note: low temperature phase
;
_database_code_amcsd 0009308
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'C5 H8'
_cell_length_a 6.60
_cell_length_b 6.60
_cell_length_c 8.81
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 383.764
_exptl_crystal_density_diffrn      1.179
_symmetry_space_group_name_H-M 'P -4 21 c'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2-y,1/2-x,1/2+z'
  'y,-x,-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,z'
  '1/2+y,1/2+x,1/2+z'
  '-y,x,-z'
  '1/2+x,1/2-y,1/2-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1  -0.02960   0.18700   0.09990
C2   0.15800   0.21870  -0.00090
C3   0.00000   0.00000   0.20060
H1  -0.05400   0.31700   0.16400
H2   0.14100   0.01700   0.26700
H3   0.29000   0.23700   0.07000
H4   0.12900   0.35400  -0.06400