# CIF file 
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'Sc V'
_chemical_formula_sum 'Sc'

loop_
_publ_author_name
 'Y. Akahama'
 'H. Fujihisa'
 'H. Kawamura'
_journal_name_full_name
;
 Physical Review Letters
;
_journal_volume 94
_journal_year 2005
_journal_page_first 195503
_journal_page_last 195503
_publ_Section_title
;
 New Helical Chain Structure for Scandium at 240 GPa
;

_aflow_title 'Sc-V (High-pressure) Structure'
_aflow_proto 'A_hP6_178_a'
_aflow_params 'a,c/a,x_{1}'
_aflow_params_values '2.355,4.43566878981,0.461'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'hP6'

_symmetry_space_group_name_H-M "P 61 2 2"
_symmetry_Int_Tables_number 178
 
_cell_length_a    2.35500
_cell_length_b    2.35500
_cell_length_c    10.44600
_cell_angle_alpha 90.00000
_cell_angle_beta  90.00000
_cell_angle_gamma 120.00000
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 x-y,x,z+1/6
3 -y,x-y,z+1/3
4 -x,-y,z+1/2
5 -x+y,-x,z+2/3
6 y,-x+y,z+5/6
7 x-y,-y,-z
8 x,x-y,-z+1/6
9 y,x,-z+1/3
10 -x+y,y,-z+1/2
11 -x,-x+y,-z+2/3
12 -y,-x,-z+5/6
 
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
Sc1 Sc   6 a 0.46100 0.00000 0.00000 1.00000
