# CIF file 

data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'Enargite'
_chemical_formula_sum 'As Cu3 S4'
 
loop_
_publ_author_name
 'G. Adiwidjaja'
 'J. L{ö}hn'
_journal_name_full
;
Acta Crystallographica B
;
_journal_volume 26
_journal_year 1970
_journal_page_first 1878
_journal_page_last 1879
_publ_Section_title
;
 Strukturverfeinerung von Enargit, Cu$_3$AsS$_4$
;

_aflow_proto 'AB3C4_oP16_31_a_ab_2ab' 
_aflow_params 'a,b/a,c/a,y1,z1,y2,z2,y3,z3,y4,z4,x5,y5,z5,x6,y6,z6' 
_aflow_params_values '7.43,0.869448183042,0.831763122476,0.8268,0.0,0.1514,0.4983,0.8226,0.6454,0.1436,0.1166,0.2466,0.3255,-0.0134,0.2598,0.3364,0.6184' 
_aflow_Strukturbericht 'H2_5' 
_aflow_Pearson 'oP16' 

_symmetry_space_group_name_Hall "P 2ac -2"
_symmetry_space_group_name_H-M "P m n 21"
_symmetry_Int_Tables_number 31

_cell_length_a    7.43000
_cell_length_b    6.46000
_cell_length_c    6.18000
_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+1/2
3 -x,y,z
4 x+1/2,-y,z+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
As1 As   2 a 0.00000 0.82680 0.00000  1.00000
Cu1 Cu   2 a 0.00000 0.15140 0.49830  1.00000
S1  S    2 a 0.00000 0.82260 0.64540  1.00000
S2  S    2 a 0.00000 0.14360 0.11660  1.00000
Cu2 Cu   4 b 0.24660 0.32550 -0.01340 1.00000
S3  S    4 b 0.25980 0.33640 0.61840  1.00000
