# CIF file

data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'alpha oxygen'
_chemical_formula_sum 'O'

loop_
_publ_author_name
 'R. J. Meier'
 'R. B. Helmholdt'
_journal_name_full
;
Physical Review B
;
_journal_volume 29
_journal_year 1984
_journal_page_first 1387
_journal_page_last 1393
_publ_Section_title
;
 Neutron-diffraction study of $α$- and $β$-oxygen
;

_aflow_proto 'A_mC4_12_i'
_aflow_params 'a,b/a,c/a,\beta,x1,z1'
_aflow_params_values '5.403,0.635387747548,0.940033314825,132.32,0.106,0.173'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'mC4'

_symmetry_space_group_name_Hall "-C 2y"
_symmetry_space_group_name_H-M "C 1 2/m 1"
_symmetry_Int_Tables_number 12

_cell_length_a    5.40300
_cell_length_b    3.43300
_cell_length_c    5.07900
_cell_angle_alpha 90.00000
_cell_angle_beta  132.32000
_cell_angle_gamma 90.00000

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 x+1/2,y+1/2,z
6 -x+1/2,y+1/2,-z
7 -x+1/2,-y+1/2,-z
8 x+1/2,-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
O1 O   4 i 0.10600 0.00000 0.17300 1.00000
