# CIF file 
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'Anhydrite'
_chemical_formula_sum 'Ca O4 S'

loop_
_publ_author_name
 'F. C. Hawthorne'
 'R. B. Ferguson'
_journal_name_full_name
;
 Canadian Mineralogist
;
_journal_volume 13
_journal_year 1975
_journal_page_first 289
_journal_page_last 292
_publ_Section_title
;
 Anhydrous sulphates. II. Refinement of the crystal structure of anhydrite
;

_aflow_title 'Anhydrite (CaSO$_{4}$, $H0_{1}$) Structure'
_aflow_proto 'AB4C_oC24_63_c_fg_c'
_aflow_params 'a,b/a,c/a,y_{1},y_{2},y_{3},z_{3},x_{4},y_{4}'
_aflow_params_values '6.995,0.892780557541,0.999714081487,0.6524,0.15556,0.7025,-0.0819,0.1699,0.0162'
_aflow_Strukturbericht '$H0_{1}$'
_aflow_Pearson 'oC24'

_symmetry_space_group_name_H-M "C 2/m 2/c 21/m"
_symmetry_Int_Tables_number 63
 
_cell_length_a    6.99500
_cell_length_b    6.24500
_cell_length_c    6.99300
_cell_angle_alpha 90.00000
_cell_angle_beta  90.00000
_cell_angle_gamma 90.00000
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 x,-y,-z
3 -x,y,-z+1/2
4 -x,-y,z+1/2
5 -x,-y,-z
6 -x,y,z
7 x,-y,z+1/2
8 x,y,-z+1/2
9 x+1/2,y+1/2,z
10 x+1/2,-y+1/2,-z
11 -x+1/2,y+1/2,-z+1/2
12 -x+1/2,-y+1/2,z+1/2
13 -x+1/2,-y+1/2,-z
14 -x+1/2,y+1/2,z
15 x+1/2,-y+1/2,z+1/2
16 x+1/2,y+1/2,-z+1/2
 
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ca1 Ca   4 c 0.00000 0.65240 0.25000 1.00000
S1  S    4 c 0.00000 0.15556 0.25000 1.00000
O1  O    8 f 0.00000 0.70250 -0.08190 1.00000
O2  O    8 g 0.16990 0.01620 0.25000 1.00000
