# CIF file
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'Sodium chlorate'
_chemical_formula_sum 'Cl Na O3'

loop_
_publ_author_name
 'G. N. Ramachandran'
 'K. S. Chandrasekaran'
_journal_name_full_name
;
 Acta Cristallographica
;
_journal_volume 10
_journal_year 1957
_journal_page_first 671
_journal_page_last 675
_publ_Section_title
;
 The absolute configuration of sodium chlorate
;

# Found in Acentric cubic NaClO$_{3}$--a new crystal for Raman lasers, 1998

_aflow_title 'Sodium Chlorate (NaClO$_{3}$, $G3$) Structure'
_aflow_proto 'ABC3_cP20_198_a_a_b'
_aflow_params 'a,x_{1},x_{2},x_{3},y_{3},z_{3}'
_aflow_params_values '6.57,0.417,0.064,0.303,0.592,0.5'
_aflow_Strukturbericht '$G3$'
_aflow_Pearson 'cP20'

_symmetry_space_group_name_H-M "P 21 3"
_symmetry_Int_Tables_number 198
 
_cell_length_a    6.57000
_cell_length_b    6.57000
_cell_length_c    6.57000
_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+1/2,-z
3 -x,y+1/2,-z+1/2
4 -x+1/2,-y,z+1/2
5 y,z,x
6 y+1/2,-z+1/2,-x
7 -y,z+1/2,-x+1/2
8 -y+1/2,-z,x+1/2
9 z,x,y
10 z+1/2,-x+1/2,-y
11 -z,x+1/2,-y+1/2
12 -z+1/2,-x,y+1/2
 
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
Cl1 Cl   4 a 0.41700 0.41700 0.41700 1.00000
Na1 Na   4 a 0.06400 0.06400 0.06400 1.00000
O1  O   12 b 0.30300 0.59200 0.50000 1.00000
