# CIF file
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'AlPO4'
_chemical_formula_sum 'M O2'

loop_
_publ_author_name
 'J. W. Richardson Jr.'
 'J. J. Pluth'
 'J. V. Smith'
_journal_name_full_name
;
 Acta Crystallographica Section C: Structural Chemistry
;
_journal_volume 43
_journal_year 1987
_journal_page_first 1469
_journal_page_last 1472
_publ_Section_title
;
 Aluminophosphate number 5: time-of-flight neutron powder diffraction study of calcined powder at 295 K
;

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

_aflow_title 'AlPO$_{4}$ Structure'
_aflow_proto 'AB2_hP72_192_m_j2kl'
_aflow_params 'a,c/a,x_{1},x_{2},x_{3},x_{4},y_{4},x_{5},y_{5},z_{5}'
_aflow_params_values '13.7705812079,0.608458538779,0.6373,0.7895,0.4221,0.6688,0.5445,0.1221,0.4551,0.686'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'hP72'

_cell_length_a    13.7705812079
_cell_length_b    13.7705812079
_cell_length_c    8.3788277199
_cell_angle_alpha 90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma 120.0000000000
 
_symmetry_space_group_name_H-M "P 6/m 2/c 2/c"
_symmetry_Int_Tables_number 192
 
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
13 -x,-y,-z
14 -x+y,-x,-z
15 y,-x+y,-z
16 x,y,-z
17 x-y,x,-z
18 -y,x-y,-z
19 -x+y,y,z+1/2
20 -x,-x+y,z+1/2
21 -y,-x,z+1/2
22 x-y,-y,z+1/2
23 x,x-y,z+1/2
24 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
O1 O  12 j 0.63730 0.00000 0.25000 1.00000
O2 O  12 k 0.78950 0.57900 0.25000 1.00000
O3 O  12 k 0.42210 0.84420 0.25000 1.00000
O4 O  12 l 0.66880 0.54450 0.00000 1.00000
M1 M  24 m 0.12210 0.45510 0.68600 1.00000
