# CIF file 

data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'alpha Pu'
_chemical_formula_sum 'Pu'
 
loop_
_publ_author_name
 'W. H. Zachariasen'
 'F. H. Ellinger'
_journal_name_full
;
Acta Crystallographica
;
_journal_volume 16
_journal_year 1963
_journal_page_first 777
_journal_page_last 783
_publ_Section_title
;
 The Crystal Structure of Alpha Plutonium Metal
;

# Found in  Donohue, pp. 159-162

_aflow_proto 'A_mP16_11_8e' 
_aflow_params 'a,b/a,c/a,\beta,x1,z1,x2,z2,x3,z3,x4,z4,x5,z5,x6,z6,x7,z7,x8,z8' 
_aflow_params_values '6.183,0.779880316998,1.77308749798,101.79,0.345,0.162,0.767,0.168,0.128,0.34,0.657,0.457,0.025,0.618,0.473,0.653,0.328,-0.074,0.869,0.894' 
_aflow_Strukturbericht 'None' 
_aflow_Pearson 'mP16' 

_symmetry_space_group_name_Hall "-P 2yb"
_symmetry_space_group_name_H-M "P 1 21/m 1"
_symmetry_Int_Tables_number 11

_cell_length_a    6.18300
_cell_length_b    4.82200
_cell_length_c    10.96300
_cell_angle_alpha 90.00000
_cell_angle_beta  101.79000
_cell_angle_gamma 90.00000
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,y+1/2,-z
3 -x,-y,-z
4 x,-y+1/2,z
 
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
Pu1 Pu   2 e 0.34500 0.25000 0.16200  1.00000
Pu2 Pu   2 e 0.76700 0.25000 0.16800  1.00000
Pu3 Pu   2 e 0.12800 0.25000 0.34000  1.00000
Pu4 Pu   2 e 0.65700 0.25000 0.45700  1.00000
Pu5 Pu   2 e 0.02500 0.25000 0.61800  1.00000
Pu6 Pu   2 e 0.47300 0.25000 0.65300  1.00000
Pu7 Pu   2 e 0.32800 0.25000 -0.07400 1.00000
Pu8 Pu   2 e 0.86900 0.25000 0.89400  1.00000
