# CIF file
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'beta-CuI'
_chemical_formula_sum 'Cu I'

loop_
_publ_author_name
 'T. Sakuma'
_journal_name_full_name
;
 Journal of the Physical Society of Japan
;
_journal_volume 57
_journal_year 1988
_journal_page_first 565
_journal_page_last 569
_publ_Section_title
;
 Crystal structure of $β$-CuI
;

# Found in Pearson's Crystal Data - Crystal Structure Database for Inorganic Compounds, 2013

_aflow_title '$\beta$-CuI Structure'
_aflow_proto 'AB_hP4_156_ab_ab'
_aflow_params 'a,c/a,z_{1},z_{2},z_{3},z_{4}'
_aflow_params_values '4.2794836776,1.67515774714,0.636,0.0,0.894,0.5'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'hP4'

_cell_length_a    4.2794836776
_cell_length_b    4.2794836776
_cell_length_c    7.1688102363
_cell_angle_alpha 90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma 120.0000000000
 
_symmetry_space_group_name_H-M "P 3 m 1"
_symmetry_Int_Tables_number 156
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -y,x-y,z
3 -x+y,-x,z
4 -x+y,y,z
5 -y,-x,z
6 x,x-y,z
 
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
Cu1 Cu   1 a 0.00000 0.00000 0.63600 1.00000 
I1  I    1 a 0.00000 0.00000 0.00000 1.00000
Cu2 Cu   1 b 0.33333 0.66667 0.89400 1.00000 
I2  I    1 b 0.33333 0.66667 0.50000 1.00000
