####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_C4N-P42
_database_code_depnum_ccdc_archive 'CCDC 2121547'
loop_
_audit_author_name
_audit_author_address
'Zhijun Shi'
;State Key Laboratory of Tribology, Tsinghua University,
China
;
_audit_update_record             
;
2021-11-11 deposited with the CCDC.	2022-01-05 downloaded from the CCDC.
;
_audit_creation_date             2021-11-11
_audit_creation_method           'Materials Studio'
_symmetry_space_group_name_H-M   P-421M
_symmetry_Int_Tables_number      113
_symmetry_cell_setting           tetragonal
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
y,-x,-z
-y,x,-z
-x+1/2,y+1/2,-z
x+1/2,-y+1/2,-z
-y+1/2,-x+1/2,z
y+1/2,x+1/2,z
_cell_length_a                   3.5130
_cell_length_b                   3.5130
_cell_length_c                   4.8893
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
C1 C 0.00000 0.00000 0.00000 0.01267 Uiso 1.00
C3 C 0.50000 0.00000 0.64050 0.01267 Uiso 1.00
N1 N 0.50000 0.00000 0.35733 0.01267 Uiso 1.00
C5 C 0.24862 0.25138 0.81170 0.01267 Uiso 1.00
