# CIF file 
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'Re3N'
_chemical_formula_sum 'N Re3'

loop_
_publ_author_name
 'A. Friedrich'
 'B. Winkler'
 'L. Bayarjargal'
 'W. Morgenroth'
 'E. A. Juarez-Arellano'
 'V. Milman'
 'K. Refson'
 'M. Kunz'
 'K. Chen'
_journal_name_full_name
;
 Physical Review Letters
;
_journal_volume 105
_journal_year 2010
_journal_page_first 085504
_journal_page_last 085504
_publ_Section_title
;
 Novel Rhenium Nitrides
;

_aflow_title 'Re$_{3}$N Structure'
_aflow_proto 'AB3_hP4_187_e_fh'
_aflow_params 'a,c/a,z_{3}'
_aflow_params_values '2.8065,2.53411722786,0.198'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'hP4'

_symmetry_space_group_name_H-M "P -6 m 2"
_symmetry_Int_Tables_number 187
 
_cell_length_a    2.80650
_cell_length_b    2.80650
_cell_length_c    7.11200
_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 -y,x-y,z
3 -x+y,-x,z
4 x,x-y,-z
5 -x+y,y,-z
6 -y,-x,-z
7 -x+y,-x,-z
8 x,y,-z
9 -y,x-y,-z
10 -x+y,y,z
11 -y,-x,z
12 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
N1  N    1 e 0.66667 0.33333 0.00000 1.00000
Re1 Re   1 f 0.66667 0.33333 0.50000 1.00000
Re2 Re   2 h 0.33333 0.66667 0.19800 1.00000
