# 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 beta-D-glucose

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/AB2C_oP96_19_6a_12a_6a-002

# Last updated on 2024/08/01

data_C24H48O24
_pd_phase_name C24H48O24
_cell_length_a  9.2900000000
_cell_length_b  12.6500000000
_cell_length_c  6.7000000000
_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 0.0203400000 0.1611900000 0.4589600000  Biso 1.0 C 4 a
C2 1.0000000000 0.9200200000 0.0713000000 0.3885100000  Biso 1.0 C 4 a
C3 1.0000000000 0.9930000000 0.0060900000 0.2243300000  Biso 1.0 C 4 a
C4 1.0000000000 0.0477900000 0.0768400000 0.0579100000  Biso 1.0 C 4 a
C5 1.0000000000 0.1479000000 0.1611100000 0.1453700000  Biso 1.0 C 4 a
C6 1.0000000000 0.2101200000 0.2384200000 0.9965700000  Biso 1.0 C 4 a
H10 1.0000000000 0.9558700000 0.1154200000 0.9835800000  Biso 1.0 H 4 a
H11 1.0000000000 0.2400400000 0.1201600000 0.2268700000  Biso 1.0 H 4 a
H12 1.0000000000 0.2798700000 0.2853800000 0.0910400000  Biso 1.0 H 4 a
H13 1.0000000000 0.2787900000 0.1897200000 0.9104500000  Biso 1.0 H 4 a
H14 1.0000000000 0.9978500000 0.2521700000 0.6970100000  Biso 1.0 H 4 a
H15 1.0000000000 0.7868700000 0.0276700000 0.5910400000  Biso 1.0 H 4 a
H16 1.0000000000 0.9031200000 0.8585000000 0.1686600000  Biso 1.0 H 4 a
H17 1.0000000000 0.1797600000 0.0087000000 0.7820900000  Biso 1.0 H 4 a
H18 1.0000000000 0.1033400000 0.3723300000 0.9104500000  Biso 1.0 H 4 a
H7 1.0000000000 0.1076400000 0.1320200000 0.5343300000  Biso 1.0 H 4 a
H8 1.0000000000 0.8180800000 0.1059300000 0.3298500000  Biso 1.0 H 4 a
H9 1.0000000000 0.0807300000 0.9612600000 0.2865700000  Biso 1.0 H 4 a
O19 1.0000000000 0.9386400000 0.2280600000 0.5820900000  Biso 1.0 O 4 a
O20 1.0000000000 0.8882700000 0.0058500000 0.5591000000  Biso 1.0 O 4 a
O21 1.0000000000 0.8851500000 0.9351000000 0.1438800000  Biso 1.0 O 4 a
O22 1.0000000000 0.1297100000 0.0167600000 0.9135800000  Biso 1.0 O 4 a
O23 1.0000000000 0.0640500000 0.2220600000 0.2883600000  Biso 1.0 O 4 a
O24 1.0000000000 0.0990300000 0.2938300000 0.8917900000  Biso 1.0 O 4 a
