# 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:  CH2O alpha-D-glucose

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/AB2C_oP96_19_6a_12a_6a-001

# Last updated on 2024/08/01

data_C24H48O24
_pd_phase_name C24H48O24
_cell_length_a  10.3662000000
_cell_length_b  14.8506000000
_cell_length_c  4.9753000000
_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
C1 1.0000000000 0.3329300000 0.1007200000 0.4238900000  Biso 1.0 C 4 a
C2 1.0000000000 0.4184500000 0.1745700000 0.5454400000  Biso 1.0 C 4 a
C3 1.0000000000 0.5610800000 0.1514200000 0.5152200000  Biso 1.0 C 4 a
C4 1.0000000000 0.5859800000 0.0568700000 0.6200500000  Biso 1.0 C 4 a
C5 1.0000000000 0.4955500000 0.9886100000 0.4878200000  Biso 1.0 C 4 a
C6 1.0000000000 0.5141300000 0.8953200000 0.6025200000  Biso 1.0 C 4 a
H10 1.0000000000 0.5675600000 0.0565600000 0.8385400000  Biso 1.0 H 4 a
H11 1.0000000000 0.5134800000 0.9865000000 0.2689300000  Biso 1.0 H 4 a
H12 1.0000000000 0.6171500000 0.8792600000 0.6034200000  Biso 1.0 H 4 a
H13 1.0000000000 0.4805000000 0.8945700000 0.8114500000  Biso 1.0 H 4 a
H14 1.0000000000 0.2752900000 0.0674200000 0.0700200000  Biso 1.0 H 4 a
H15 1.0000000000 0.4486000000 0.2776800000 0.2967900000  Biso 1.0 H 4 a
H16 1.0000000000 0.7246300000 0.2136900000 0.6178300000  Biso 1.0 H 4 a
H17 1.0000000000 0.7517100000 0.0081800000 0.7323500000  Biso 1.0 H 4 a
H18 1.0000000000 0.4127000000 0.7860900000 0.5700900000  Biso 1.0 H 4 a
H7 1.0000000000 0.2326100000 0.1123400000 0.4844800000  Biso 1.0 H 4 a
H8 1.0000000000 0.3957600000 0.1776600000 0.7599600000  Biso 1.0 H 4 a
H9 1.0000000000 0.5888900000 0.1541700000 0.3005400000  Biso 1.0 H 4 a
O19 1.0000000000 0.3471200000 0.1006900000 0.1459700000  Biso 1.0 O 4 a
O20 1.0000000000 0.3879600000 0.2598000000 0.4344800000  Biso 1.0 O 4 a
O21 1.0000000000 0.6334000000 0.2153800000 0.6632000000  Biso 1.0 O 4 a
O22 1.0000000000 0.7175800000 0.0348200000 0.5687200000  Biso 1.0 O 4 a
O23 1.0000000000 0.3654100000 0.0153800000 0.5369600000  Biso 1.0 O 4 a
O24 1.0000000000 0.4458000000 0.8311100000 0.4482400000  Biso 1.0 O 4 a
