# AFLOW CIF FILE
# AFLOW.org Repositories
# ANRL - DUKE UNIVERSITY
# Part 1 (2017) doi: 10.1016/j.commatsci.2017.01.017
# Part 2 (2018) doi: 10.1016/j.commatsci.2018.10.043
# Part 3 (2021) doi: 10.1016/j.commatsci.2021.110450
# Part 4 (2024) doi: 10.1016/j.commatsci.2024.112988

# Chemical Composition:  (AlPO4)2(OH)(H2O)2.NH4 (AlPO4-15)

data_AlHNOP
_pd_phase_name (AlPO4)2(OH)(H2O)2.NH4
_cell_length_a  9.7211000000
_cell_length_b  9.6674006436
_cell_length_c  11.9277897000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  128.3760000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'P2_{1}/c'
_symmetry_Int_Tables_Number  14
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x,y+1/2,-z+1/2
  3  -x,-y,-z
  4  x,-y+1/2,z+1/2
loop_
 _atom_site_label
 _atom_site_occupancy
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_adp_type
 _atom_site_B_iso_or_equiv
 _atom_site_type_symbol
 _atom_site_symmetry_multiplicity
 _atom_site_Wyckoff_label
Al1 1.0000000000 0.4879580000 0.5344650000 0.1155510000  Biso 1.0 Al 4 e
Al2 1.0000000000 0.2053810000 0.2296230000 0.8903690000  Biso 1.0 Al 4 e
H3  1.0000000000 0.1484490000 0.8693380000 0.7630170000  Biso 1.0 H  4 e
H4  1.0000000000 0.3062680000 0.9169250000 0.7651380000  Biso 1.0 H  4 e
H5  1.0000000000 0.9993850000 0.7677520000 0.9999710000  Biso 1.0 H  4 e
H6  1.0000000000 0.0567060000 0.8595180000 0.9159020000  Biso 1.0 H  4 e
H7  1.0000000000 0.1777560000 0.7209560000 0.0095190000  Biso 1.0 H  4 e
H8  1.0000000000 0.1854080000 0.8650740000 0.1007910000  Biso 1.0 H  4 e
H9  1.0000000000 0.5398620000 0.3004890000 0.0584540000  Biso 1.0 H  4 e
H10 1.0000000000 0.4047750000 0.0406750000 0.0950640000  Biso 1.0 H  4 e
H11 1.0000000000 0.3333270000 0.9862680000 0.9367910000  Biso 1.0 H  4 e
N12 1.0000000000 0.1077140000 0.8039120000 0.0089760000  Biso 1.0 N  4 e
O13 1.0000000000 0.2102980000 0.2707240000 0.0438930000  Biso 1.0 O  4 e
O14 1.0000000000 0.2779150000 0.8675170000 0.8205620000  Biso 1.0 O  4 e
O15 1.0000000000 0.4432390000 0.3661360000 0.9962320000  Biso 1.0 O  4 e
O16 1.0000000000 0.3487880000 0.0690890000 0.9960410000  Biso 1.0 O  4 e
O17 1.0000000000 0.0019160000 0.6319670000 0.6990650000  Biso 1.0 O  4 e
O18 1.0000000000 0.2750900000 0.5249890000 0.7629370000  Biso 1.0 O  4 e
O19 1.0000000000 0.2555920000 0.5851080000 0.9596660000  Biso 1.0 O  4 e
O20 1.0000000000 0.0745280000 0.3892560000 0.7887660000  Biso 1.0 O  4 e
O21 1.0000000000 0.2365060000 0.3204290000 0.2592700000  Biso 1.0 O  4 e
O22 1.0000000000 0.4827420000 0.1936320000 0.2867290000  Biso 1.0 O  4 e
O23 1.0000000000 0.4318300000 0.4453880000 0.2223080000  Biso 1.0 O  4 e
P24 1.0000000000 0.3415620000 0.3055460000 0.2044610000  Biso 1.0 P  4 e
P25 1.0000000000 0.1511330000 0.5351560000 0.8032760000  Biso 1.0 P  4 e
