# CIF file 

data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral ''
_chemical_formula_sum 'Al P S4'
 
loop_
_publ_author_name
 'A. Weiss'
 'H. Sch{ä}fer'
_journal_name_full
;
Naturwissenschaften
;
_journal_volume 47
_journal_year 1960
_journal_page_first 495
_journal_page_last 495
_publ_Section_title
;
 Zur Kenntnis von Aluminiumthiophosphat AlPS$_4$
;

_aflow_proto 'ABC4_oP12_16_ag_cd_2u' 
_aflow_params 'a,b/a,c/a,x5,y5,z5,x6,y6,z6' 
_aflow_params_values '5.61,1.01069518717,1.61319073084,0.2,0.26,0.125,0.74,0.8,0.63' 
_aflow_Strukturbericht 'None' 
_aflow_Pearson 'oP12' 

_symmetry_space_group_name_Hall "P 2 2"
_symmetry_space_group_name_H-M "P 2 2 2"
_symmetry_Int_Tables_number 16

_cell_length_a    5.61000
_cell_length_b    5.67000
_cell_length_c    9.05000
_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,-y,-z
3 -x,y,-z
4 -x,-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
Al1 Al   1 a 0.00000 0.00000 0.00000 1.00000
P1  P    1 c 0.00000 0.50000 0.00000 1.00000
P2  P    1 d 0.00000 0.00000 0.50000 1.00000
Al2 Al   1 g 0.00000 0.50000 0.50000 1.00000
S1  S    4 u 0.20000 0.26000 0.12500 1.00000
S2  S    4 u 0.74000 0.80000 0.63000 1.00000
