# CIF file
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'Pd17Se15'
_chemical_formula_sum 'Pd17 Se15'

loop_
_publ_author_name
 'S. Geller'
_journal_name_full_name
;
 Acta Cristallographica
;
_journal_volume 15
_journal_year 1962
_journal_page_first 713
_journal_page_last 721
_publ_Section_title
;
 The crystal structure of Pd$_{17}$Se$_{15}$
;

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

_aflow_title 'Pd$_{17}$Se$_{15}$ Structure'
_aflow_proto 'A17B15_cP64_207_acfk_eij'
_aflow_params 'a,x_{3},x_{4},y_{5},y_{6},x_{7},y_{7},z_{7}'
_aflow_params_values '10.6058825779,0.2422,0.2622,0.3319,0.2701,0.142,0.1539,0.3498'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'cP64'

_cell_length_a    10.6058825779
_cell_length_b    10.6058825779
_cell_length_c    10.6058825779
_cell_angle_alpha 90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma 90.0000000000
 
_symmetry_space_group_name_H-M "P 4 3 2"
_symmetry_Int_Tables_number 207
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 x,-y,-z
3 -x,y,-z
4 -x,-y,z
5 y,z,x
6 y,-z,-x
7 -y,z,-x
8 -y,-z,x
9 z,x,y
10 z,-x,-y
11 -z,x,-y
12 -z,-x,y
13 -y,-x,-z
14 -y,x,z
15 y,-x,z
16 y,x,-z
17 -x,-z,-y
18 -x,z,y
19 x,-z,y
20 x,z,-y
21 -z,-y,-x
22 -z,y,x
23 z,-y,x
24 z,y,-x
 
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   1 a 0.00000 0.00000 0.00000 1.00000
Pd2 Pd   3 c 0.00000 0.50000 0.50000 1.00000
Se1 Se   6 e 0.24220 0.00000 0.00000 1.00000
Pd3 Pd   6 f 0.26220 0.50000 0.50000 1.00000
Se2 Se  12 i 0.00000 0.33190 0.33190 1.00000
Se3 Se  12 j 0.50000 0.27010 0.27010 1.00000
Pd4 Pd  24 k 0.14200 0.15390 0.34980 1.00000
