####################################################################### 
# 
# 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_findsym-output
_database_code_depnum_ccdc_archive 'CCDC 1412023'
_audit_update_record             
;
2015-07-10 deposited with the CCDC.
2015-08-24 downloaded from the CCDC.
;

_symmetry_space_group_name_H-M   'C 1 2/c 1'
_symmetry_Int_Tables_number      15

_cell_length_a                   8.74241
_cell_length_b                   8.69478
_cell_length_c                   4.17800
_cell_angle_alpha                90.00000
_cell_angle_beta                 66.07927
_cell_angle_gamma                90.00000

loop_
_space_group_symop_operation_xyz
x,y,z
-x,y,-z+1/2
-x,-y,-z
x,-y,z+1/2
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,z+1/2

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Be1 Be 0.30175 0.08755 0.27471 1.00000
Be2 Be 0.00000 0.18404 0.25000 1.00000
F1 F -0.11350 0.09592 0.11433 1.00000
F2 F 0.14707 0.43232 0.42082 1.00000
F3 F -0.11681 0.27080 -0.42582 1.00000
_chemical_name_systematic        'Novel phase of beryllium fluoride'
_chemical_name_common            BeF2
_diffrn_ambient_temperature      0
