data_global
_chemical_name_mineral 'Gypsum'
loop_
_publ_author_name
'Wooster W'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 94 
_journal_year 1936
_journal_page_first 375
_journal_page_last 396
_publ_section_title
;
 On the crystal structure of gypsum Ca S O4 (H2 O)2
 _cod_database_code 1010981
;
_database_code_amcsd 0017897
_chemical_formula_sum 'Ca S O6'
_cell_length_a 10.47
_cell_length_b 15.15
_cell_length_c 6.51
_cell_angle_alpha 90
_cell_angle_beta 151.55
_cell_angle_gamma 90
_cell_volume 491.931
_exptl_crystal_density_diffrn      2.270
_symmetry_space_group_name_H-M 'C 1 2/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-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
Ca1   0.00000   0.42000   0.25000
S1   0.00000   0.08300  -0.25000
O1   0.03300   0.14000  -0.01800
O2   0.24100   0.02600   0.06600
O3   0.12800   0.31400   0.16500