# CIF file
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'CeCo4B4'
_chemical_formula_sum 'B4 Ce Co4'

loop_
_publ_author_name
 'Y. B. Kuzma'
 'N. S. Bilonizhko'
_journal_name_full_name
;
 Soviet Physics Crystallography
;
_journal_volume 16
_journal_year 1972
_journal_page_first 897
_journal_page_last 898
_publ_Section_title
;
 Crystal structure of the compounds CeCo$_{4}$B$_{4}$ and its analogs
;

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

_aflow_title 'CeCo$_{4}$B$_{4}$ Structure'
_aflow_proto 'A4BC4_tP18_137_g_b_g'
_aflow_params 'a,c/a,y_{2},z_{2},y_{3},z_{3}'
_aflow_params_values '5.0593101041,1.39612571654,0.08,0.1,0.503,0.384'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'tP18'

_cell_length_a    5.0593101041
_cell_length_b    5.0593101041
_cell_length_c    7.0634329443
_cell_angle_alpha 90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma 90.0000000000
 
_symmetry_space_group_name_H-M "P 42/n 21/m 2/c (origin choice 2)"
_symmetry_Int_Tables_number 137
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 x+1/2,-y,-z
3 -x,y+1/2,-z
4 -x+1/2,-y+1/2,z
5 -y,-x,-z+1/2
6 -y+1/2,x,z+1/2
7 y,-x+1/2,z+1/2
8 y+1/2,x+1/2,-z+1/2
9 -x,-y,-z
10 -x+1/2,y,z
11 x,-y+1/2,z
12 x+1/2,y+1/2,-z
13 y,x,z+1/2
14 y+1/2,-x,-z+1/2
15 -y,x+1/2,-z+1/2
16 -y+1/2,-x+1/2,z+1/2
 
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
Ce1 Ce   2 b 0.75000 0.25000 0.25000 1.00000
B1  B    8 g 0.25000 0.08000 0.10000 1.00000
Co1 Co   8 g 0.25000 0.50300 0.38400 1.00000
