# CIF file 
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'BBe2F2KO3'
_chemical_formula_sum 'B Be2 F2 K O3'

loop_
_publ_author_name
 'L. Mei'
 'X. Huang'
 'Y. Wang'
 'Q. Wu'
 'C. Chen'
_journal_name_full_name
;
 Zeitschrift f{\"u}r Kristallographie - Crystalline Materials
;
_journal_volume 210
_journal_year 1995
_journal_page_first 93
_journal_page_last 95
_publ_Section_title
;
 Crystal Structure of KBe$_{2}$BO$_{3}$F$_{2}$
;

_aflow_title 'KBe$_{2}$BO$_{3}$F$_{2}$ Structure'
_aflow_proto 'AB2C2DE3_hR9_155_b_c_c_a_e'
_aflow_params 'a,c/a,x_{3},x_{4},y_{5}'
_aflow_params_values '4.427,4.2340185227,0.19743,0.27848,0.19063'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'hR9'

_symmetry_space_group_name_H-M "R 3 2 (hexagonal axes)"
_symmetry_Int_Tables_number 155
 
_cell_length_a    4.42700
_cell_length_b    4.42700
_cell_length_c    18.74400
_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 y,x,-z
5 -x,-x+y,-z
6 x-y,-y,-z
7 x+1/3,y+2/3,z+2/3
8 -y+1/3,x-y+2/3,z+2/3
9 -x+y+1/3,-x+2/3,z+2/3
10 y+1/3,x+2/3,-z+2/3
11 -x+1/3,-x+y+2/3,-z+2/3
12 x-y+1/3,-y+2/3,-z+2/3
13 x+2/3,y+1/3,z+1/3
14 -y+2/3,x-y+1/3,z+1/3
15 -x+y+2/3,-x+1/3,z+1/3
16 y+2/3,x+1/3,-z+1/3
17 -x+2/3,-x+y+1/3,-z+1/3
18 x-y+2/3,-y+1/3,-z+1/3
 
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
K1 K 3 a 0.00000 0.00000 0.00000 1.00000
B1 B 3 b 0.00000 0.00000 0.50000 1.00000
Be1 Be 6 c 0.00000 0.00000 0.19743 1.00000
F1 F 6 c 0.00000 0.00000 0.27848 1.00000
O1 O 9 e 0.69063 0.00000 0.50000 1.00000
