# 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 arabinose

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/AB2C_oP80_19_5a_10a_5a-001

# Last updated on 2024/08/01

data_C20H40O20
_pd_phase_name C20H40O20
_cell_length_a  6.5350000000
_cell_length_b  19.4670000000
_cell_length_c  4.8410000000
_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 0.4930000000 0.9172000000 0.6880000000  Biso 1.0 C 4 a
C2 1.0000000000 0.4310000000 0.8469000000 0.7985000000  Biso 1.0 C 4 a
C3 1.0000000000 0.2510000000 0.8198000000 0.6310000000  Biso 1.0 C 4 a
C4 1.0000000000 0.0695000000 0.8712000000 0.6490000000  Biso 1.0 C 4 a
C5 1.0000000000 0.1500000000 0.9414000000 0.5530000000  Biso 1.0 C 4 a
H10 1.0000000000 0.0240000000 0.9720000000 0.5640000000  Biso 1.0 H 4 a
H11 1.0000000000 0.2200000000 0.9390000000 0.3510000000  Biso 1.0 H 4 a
H12 1.0000000000 0.6000000000 0.9540000000 0.3800000000  Biso 1.0 H 4 a
H13 1.0000000000 0.5390000000 0.7670000000 0.8920000000  Biso 1.0 H 4 a
H14 1.0000000000 0.1730000000 0.7370000000 0.5670000000  Biso 1.0 H 4 a
H15 1.0000000000 0.8750000000 0.8520000000 0.9440000000  Biso 1.0 H 4 a
H6 1.0000000000 0.6280000000 0.9420000000 0.7900000000  Biso 1.0 H 4 a
H7 1.0000000000 0.3760000000 0.8470000000 -0.0000000000  Biso 1.0 H 4 a
H8 1.0000000000 0.3030000000 0.8110000000 0.4220000000  Biso 1.0 H 4 a
H9 1.0000000000 0.9570000000 0.8430000000 0.5070000000  Biso 1.0 H 4 a
O16 1.0000000000 0.5625000000 0.9099000000 0.4200000000  Biso 1.0 O 4 a
O17 1.0000000000 0.6075000000 0.8019000000 0.7710000000  Biso 1.0 O 4 a
O18 1.0000000000 0.1910000000 0.7545000000 0.7370000000  Biso 1.0 O 4 a
O19 1.0000000000 0.9960000000 0.8781000000 0.9260000000  Biso 1.0 O 4 a
O20 1.0000000000 0.3250000000 0.9632000000 0.7110000000  Biso 1.0 O 4 a
