data_global
_chemical_name_mineral 'Clintonite'
loop_
_publ_author_name
'Takeuchi Y'
'Sadanaga R'
_journal_name_full 'Acta Crystallographica'
_journal_volume 12 
_journal_year 1959
_journal_page_first 945
_journal_page_last 946
_publ_section_title
;
 The crystal structure of xanthophyllite
;
_database_code_amcsd 0009236
_chemical_compound_source 'Chichibu mine, Japan'
_chemical_formula_sum 'Ca Mg2 Al4 Si O12 H2'
_cell_length_a 5.19
_cell_length_b 9.00
_cell_length_c 9.74
_cell_angle_alpha 90
_cell_angle_beta 100.1
_cell_angle_gamma 90
_cell_volume 447.905
_exptl_crystal_density_diffrn      3.105
_symmetry_space_group_name_H-M 'C 1 2/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,z'
  '1/2+x,1/2-y,z'
  '-x,y,-z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ca   0.50000   0.50000   0.00000   1.00000
Mg   0.50000   0.32800   0.50000   1.00000
Al1   0.00000   0.50000   0.50000   1.00000
Al2   0.55600   0.17200   0.20500   0.75000
Si2   0.55600   0.17200   0.20500   0.25000
O1   0.41900   0.00000   0.14000   1.00000
O2   0.84100   0.18500   0.14000   1.00000
O3   0.60200   0.16100   0.38300   1.00000
O-H   0.63200   0.50000   0.39800   1.00000