# CIF file 
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral ''
_chemical_formula_sum 'Mg O4 S'

loop_
_publ_author_name
 'P. J. Rentzeperis'
 'C. T. Soldatos'
_journal_name_full_name
;
 Acta Cristallographica
;
_journal_volume 11
_journal_year 1958
_journal_page_first 686
_journal_page_last 688
_publ_Section_title
;
 The crystal structure of the anhydrous magnesium sulphate
;

# Found in The American Mineralogist Crystal Structure Database, 2003

_aflow_title 'MgSO$_{4}$ Structure'
_aflow_proto 'AB4C_oC24_63_a_fg_c'
_aflow_params 'a,b/a,c/a,y_{2},y_{3},z_{3},x_{4},y_{4}'
_aflow_params_values '5.182,1.52315708221,1.25549980702,0.37,0.25,0.06,0.25,0.47'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'oC24'

_symmetry_space_group_name_H-M "C 2/m 2/c 21/m"
_symmetry_Int_Tables_number 63
 
_cell_length_a    5.18200
_cell_length_b    7.89300
_cell_length_c    6.50600
_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
Mg1 Mg   4 a 0.00000 0.00000 0.00000 1.00000
S1  S    4 c 0.00000 0.37000 0.25000 1.00000
O1  O    8 f 0.00000 0.25000 0.06000 1.00000
O2  O    8 g 0.25000 0.47000 0.25000 1.00000
