# CIF file
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'ZrO2'
_chemical_formula_sum 'O2 Zr'

loop_
_publ_author_name
 'J. Grins'
 'P.-O. K{ä}ll'
 'G. Svensson'
_journal_name_full_name
;
 Journal of Materials Chemistry
;
_journal_volume 4
_journal_year 1994
_journal_page_first 1293
_journal_page_last 1301
_publ_Section_title
;
 Phases in the Zr$_{x}$Ta$_{1-x}$(O,N)$_{y}$ system, formed by ammonolysis of Zr-Ta gels: Preparation of a baddeleyite-type solid solution phase Zr$_{x}$Ta$_{1-x}$O$_{1+x}$N$_{1-x}$, $0 ≤ x ≤ 1$
;

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

_aflow_title 'ZrO$_{2}$ Structure'
_aflow_proto 'A2B_oP12_29_2a_a'
_aflow_params 'a,b/a,c/a,x_{1},y_{1},z_{1},x_{2},y_{2},z_{2},x_{3},y_{3},z_{3}'
_aflow_params_values '5.2594682584,0.963498098863,0.965209125484,0.639,0.068,0.0,0.771,0.537,0.106,0.53,0.267,0.356'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'oP12'

_cell_length_a    5.2594682584
_cell_length_b    5.0674876680
_cell_length_c    5.0764867582
_cell_angle_alpha 90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma 90.0000000000
 
_symmetry_space_group_name_H-M "P c a 21"
_symmetry_Int_Tables_number 29
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,z+1/2
3 -x+1/2,y,z+1/2
4 x+1/2,-y,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    4 a 0.63900 0.06800 0.00000 1.00000
O2  O    4 a 0.77100 0.53700 0.10600 1.00000
Zr1 Zr   4 a 0.53000 0.26700 0.35600 1.00000
