# CIF file 

data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'lead oxide'
_chemical_formula_sum 'Pb O'
 
loop_
_publ_author_name
 'P. Boher'
 'P. Garnier'
 'J. R. Gavarri'
 'A. W. Hewat'
_journal_name_full
;
Journal of Solid State Chemistry
;
_journal_volume 57
_journal_year 1985
_journal_page_first 343
_journal_page_last 350
_publ_Section_title
;
 Monoxyde quadratique PbO$α$(I): Description de la transition structurale ferroe'lastique
;

# Found in  Pearson's Handbook, Vol. IV, p. 4745

_aflow_proto 'AB_tP4_129_a_c' 
_aflow_params 'a,c/a,z2' 
_aflow_params_values '3.9645,1.26008323874,0.2368' 
_aflow_Strukturbericht 'B10' 
_aflow_Pearson 'tP4' 

_symmetry_space_group_name_Hall "-P 4a 2a"
_symmetry_space_group_name_H-M "P 4/n m m:2"
_symmetry_Int_Tables_number 129

_cell_length_a    3.96450
_cell_length_b    3.96450
_cell_length_c    4.99560
_cell_angle_alpha 90.00000
_cell_angle_beta  90.00000
_cell_angle_gamma 90.00000
 
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
6 -y+1/2,x,z
7 y,-x+1/2,z
8 y+1/2,x+1/2,-z
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
14 y+1/2,-x,-z
15 -y,x+1/2,-z
16 -y+1/2,-x+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
O1  O    2 a 0.75000 0.25000 0.00000 1.00000
Pb1 Pb   2 c 0.25000 0.25000 0.23680 1.00000
