# CIF file
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'Al[PO4]'
_chemical_formula_sum 'Al O4 P'

loop_
_publ_author_name
 'G. J. Klap'
 'H. {van Koningsveld}'
 'H. Graafsma'
 'A. M. M. Schreurs'
_journal_name_full_name
;
 Microporous and Mesoporous Materials
;
_journal_volume 38
_journal_year 2000
_journal_page_first 403
_journal_page_last 412
_publ_Section_title
;
 Absolute configuration and domain structure of AlPO$_{4}$-5 studied by single crystal X-ray diffraction
;

# Found in Pearson's Crystal Data - Crystal Structure Database for Inorganic Compounds, 2013

_aflow_title 'Al[PO$_{4}$] (Framework type AFI) Structure'
_aflow_proto 'AB4C_hP72_184_d_4d_d'
_aflow_params 'a,c/a,x_{1},y_{1},z_{1},x_{2},y_{2},z_{2},x_{3},y_{3},z_{3},x_{4},y_{4},z_{4},x_{5},y_{5},z_{5},x_{6},y_{6},z_{6}'
_aflow_params_values '13.7178848276,0.616168537688,0.45652,0.12053,0.0,0.42,0.2069,0.071,0.1224,0.4519,0.2982,0.3629,0.0019,0.0649,0.1538,0.5737,0.0602,0.12298,0.4525,0.12746'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'hP72'

_cell_length_a    13.7178848276
_cell_length_b    13.7178848276
_cell_length_c    8.4525290344
_cell_angle_alpha 90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma 120.0000000000
 
_symmetry_space_group_name_H-M "P 6 c c"
_symmetry_Int_Tables_number 184
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 x-y,x,z
3 -y,x-y,z
4 -x,-y,z
5 -x+y,-x,z
6 y,-x+y,z
7 -x+y,y,z+1/2
8 -x,-x+y,z+1/2
9 -y,-x,z+1/2
10 x-y,-y,z+1/2
11 x,x-y,z+1/2
12 y,x,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
Al1 Al  12 d 0.45652 0.12053 0.00000 1.00000
O1  O   12 d 0.42000 0.20690 0.07100 1.00000
O2  O   12 d 0.12240 0.45190 0.29820 1.00000
O3  O   12 d 0.36290 0.00190 0.06490 1.00000
O4  O   12 d 0.15380 0.57370 0.06020 1.00000
P1  P   12 d 0.12298 0.45250 0.12746 1.00000
