data_global
_chemical_name_mineral 'Despujolsite'
loop_
_publ_author_name
'Gaudefroy C'
'Granger M M'
'Permingeat F'
'Protas J'
_journal_name_full 'Bulletin de la Societe Francaise de Mineralogie et de Cristallographie'
_journal_volume 91 
_journal_year 1968
_journal_page_first 43
_journal_page_last 50
_publ_section_title
;
 La despujolsite, une nouvelle espece minerale
;
_database_code_amcsd 0012127
_chemical_compound_source 'Tachgagalt, Morocco'
_chemical_formula_sum 'Ca3 Mn S2 O17 H12'
_cell_length_a 8.56
_cell_length_b 8.56
_cell_length_c 10.76
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 682.795
_exptl_crystal_density_diffrn      2.546
_symmetry_space_group_name_H-M 'P -6 2 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_U_iso_or_equiv
Ca   0.30222   0.14553   0.25000   0.01113
Mn   0.00000   0.00000   0.00000   0.00812
S   0.66667   0.33333   0.02513   0.01127
O1   0.66667   0.33333  -0.11152   0.02558
O-H3   0.10255   0.20292   0.11114   0.01469
Wat2   0.49811  -0.01992   0.25000   0.02888
O4   0.47747   0.25376   0.06805   0.01726