# CIF file
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'Pd4Se'
_chemical_formula_sum 'Pd4 Se'

loop_
_publ_author_name
 'F. Gr{ο}nvold'
 'E. R{ο}st'
_journal_name_full_name
;
 Acta Chemica Scandinavica
;
_journal_volume 10
_journal_year 1956
_journal_page_first 1620
_journal_page_last 1634
_publ_Section_title
;
 On the sulfides, selenides and tellurides of palladium
;

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

_aflow_title 'Pd$_{4}$Se Structure'
_aflow_proto 'A4B_tP10_114_e_a'
_aflow_params 'a,c/a,x_{2},y_{2},z_{2}'
_aflow_params_values '5.2323591487,1.07923706139,0.626,0.768,0.846'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'tP10'

_cell_length_a    5.2323591487
_cell_length_b    5.2323591487
_cell_length_c    5.6469559118
_cell_angle_alpha 90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma 90.0000000000
 
_symmetry_space_group_name_H-M "P -4 21 c"
_symmetry_Int_Tables_number 114
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 x+1/2,-y+1/2,-z+1/2
3 -x+1/2,y+1/2,-z+1/2
4 -x,-y,z
5 y+1/2,x+1/2,z+1/2
6 y,-x,-z
7 -y,x,-z
8 -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
Se1 Se   2 a 0.00000 0.00000 0.00000 1.00000
Pd1 Pd   8 e 0.62600 0.76800 0.84600 1.00000
