# CIF file 
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'Na3As'
_chemical_formula_sum 'As Na3'

loop_
_publ_author_name
 'P. Hafner'
 'K.-J. Range'
_journal_name_full_name
;
 Journal of Alloys and Compounds
;
_journal_volume 216
_journal_year 1994
_journal_page_first 7
_journal_page_last 10
_publ_Section_title
;
 Na$_{3}$As revisited: high-pressure synthesis of single crystals and structure refinement
;

_aflow_title 'Na$_{3}$As Structure'
_aflow_proto 'AB3_hP24_185_c_ab2c'
_aflow_params 'a,c/a,z_{1},z_{2},x_{3},z_{3},x_{4},z_{4},x_{5},z_{5}'
_aflow_params_values '8.7838,1.02449964708,0.2684,0.2311,0.3321,0.25,0.3153,0.5863,0.3518,-0.0769'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'hP24'

_symmetry_space_group_name_H-M "P 63 c m"
_symmetry_Int_Tables_number 185
 
_cell_length_a    8.78380
_cell_length_b    8.78380
_cell_length_c    8.99900
_cell_angle_alpha 90.00000
_cell_angle_beta  90.00000
_cell_angle_gamma 120.00000
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 x-y,x,z+1/2
3 -y,x-y,z
4 -x,-y,z+1/2
5 -x+y,-x,z
6 y,-x+y,z+1/2
7 -x+y,y,z+1/2
8 -x,-x+y,z
9 -y,-x,z+1/2
10 x-y,-y,z
11 x,x-y,z+1/2
12 y,x,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
Na1 Na   2 a 0.00000 0.00000 0.26840  1.00000
Na2 Na   4 b 0.33333 0.66667 0.23110  1.00000
As1 As   6 c 0.33210 0.00000 0.25000  1.00000
Na3 Na   6 c 0.31530 0.00000 0.58630  1.00000
Na4 Na   6 c 0.35180 0.00000 -0.07690 1.00000
