# 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:  H6NO4P

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A6BC4D_oP48_19_6a_a_4a_a-001

# Last updated on 2024/08/01

data_H24N4O16P4
_pd_phase_name H24N4O16P4
_cell_length_a  7.5030000000
_cell_length_b  7.5120000000
_cell_length_c  7.4880000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'P2_{1}2_{1}2_{1}'
_symmetry_Int_Tables_Number  19
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x+1/2,-y,z+1/2
  3  -x,y+1/2,-z+1/2
  4  x+1/2,-y+1/2,-z
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
H1 1.0000000000 0.0120000000 0.5740000000 0.5870000000  Biso 1.0 H 4 a
H2 1.0000000000 -0.0000000000 0.3880000000 0.5470000000  Biso 1.0 H 4 a
H3 1.0000000000 0.9320000000 0.5040000000 0.4210000000  Biso 1.0 H 4 a
H4 1.0000000000 0.1130000000 0.4870000000 0.4530000000  Biso 1.0 H 4 a
H5 1.0000000000 0.7890000000 0.3480000000 0.1220000000  Biso 1.0 H 4 a
H6 1.0000000000 0.1540000000 0.2980000000 0.8920000000  Biso 1.0 H 4 a
N7 1.0000000000 0.0110000000 0.4837000000 0.5016000000  Biso 1.0 N 4 a
O10 1.0000000000 0.8628000000 0.5773000000 0.8720000000  Biso 1.0 O 4 a
O11 1.0000000000 0.1571000000 0.4100000000 0.8974000000  Biso 1.0 O 4 a
O8 1.0000000000 0.0820000000 0.6443000000 0.1192000000  Biso 1.0 O 4 a
O9 1.0000000000 0.9147000000 0.3498000000 0.1145000000  Biso 1.0 O 4 a
P12 1.0000000000 -0.0000000000 0.5019000000 0.0004000000  Biso 1.0 P 4 a
