# CIF file 
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'H2S'
_chemical_formula_sum 'H2 S'

loop_
_publ_author_name
 'Y. Li'
 'J. Hao'
 'H. Liu'
 'Y. Li'
 'Y. Ma'
_journal_name_full_name
;
 Journal of Chemical Physics
;
_journal_volume 140
_journal_year 2014
_journal_page_first 174712
_journal_page_last 174712
_publ_Section_title
;
 The metallization and superconductivity of dense hydrogen sulfide
;

_aflow_title 'H$_{2}$S (170~GPa) Structure'
_aflow_proto 'A2B_oC24_64_2f_f'
_aflow_params 'a,b/a,c/a,y_{1},z_{1},y_{2},z_{2},y_{3},z_{3}'
_aflow_params_values '2.9986,1.44314013206,2.534682852,0.372,0.27,0.6,0.092,0.371,0.615'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'oC24'

_symmetry_space_group_name_H-M "C 2/m 2/c 21/a"
_symmetry_Int_Tables_number 64
 
_cell_length_a    2.99860
_cell_length_b    4.32740
_cell_length_c    7.60050
_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+1/2,y,-z+1/2
4 -x+1/2,-y,z+1/2
5 -x,-y,-z
6 -x,y,z
7 x+1/2,-y,z+1/2
8 x+1/2,y,-z+1/2
9 x+1/2,y+1/2,z
10 x+1/2,-y+1/2,-z
11 -x,y+1/2,-z+1/2
12 -x,-y+1/2,z+1/2
13 -x+1/2,-y+1/2,-z
14 -x+1/2,y+1/2,z
15 x,-y+1/2,z+1/2
16 x,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
H1 H   8 f 0.00000 0.37200 0.27000 1.00000
H2 H   8 f 0.00000 0.60000 0.09200 1.00000
S1 S   8 f 0.00000 0.37100 0.61500 1.00000
