# CIF file 

data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral ''
_chemical_formula_sum 'B2 Pd5'
 
loop_
_publ_author_name
 'Erik Stenberg'
_journal_name_full
;
Acta Chemica Scandinavica
;
_journal_volume 15
_journal_year 1961
_journal_page_first 861
_journal_page_last 870
_publ_Section_title
;
 The Crystal Structures of Pd$_5$B$_2$, (Mn$_5$C$_2$), and Pd$_3$B
;

_aflow_proto 'A2B5_mC28_15_f_e2f' 
_aflow_params 'a,b/a,c/a,\beta,y1,x2,y2,z2,x3,y3,z3,x4,y4,z4' 
_aflow_params_values '12.786,0.387533239481,0.427968090099,97.03333,0.5727,0.106,0.311,0.077,0.0958,0.0952,0.4213,0.7127,0.0726,0.3138' 
_aflow_Strukturbericht 'None' 
_aflow_Pearson 'mC28' 

_symmetry_space_group_name_Hall "-C 2yc"
_symmetry_space_group_name_H-M "C 1 2/c 1"
_symmetry_Int_Tables_number 15

_cell_length_a    12.78600
_cell_length_b    4.95500
_cell_length_c    5.47200
_cell_angle_alpha 90.00000
_cell_angle_beta  97.03333
_cell_angle_gamma 90.00000
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,y,-z+1/2
3 -x,-y,-z
4 x,-y,z+1/2
5 x+1/2,y+1/2,z
6 -x+1/2,y+1/2,-z+1/2
7 -x+1/2,-y+1/2,-z
8 x+1/2,-y+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
Pd1 Pd   4 e 0.00000 0.57270 0.25000 1.00000
B1  B    8 f 0.10600 0.31100 0.07700 1.00000
Pd2 Pd   8 f 0.09580 0.09520 0.42130 1.00000
Pd3 Pd   8 f 0.71270 0.07260 0.31380 1.00000
