# 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:  AlNaO4Si trinepheline

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/ABC4D_hP168_169_4a_4a_16a_4a-001

# Last updated on 2024/08/01

data_Al24Na24O96Si24
_pd_phase_name Al24Na24O96Si24
_cell_length_a  9.9950000000
_cell_length_b  9.9950000000
_cell_length_c  24.7970000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  120.0000000000
_symmetry_space_group_name_H-M  'P6_{1}'
_symmetry_Int_Tables_Number  169
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -y,x-y,z+1/3
  3  -x+y,-x,z+2/3
  4  -x,-y,z+1/2
  5  y,-x+y,z+5/6
  6  x-y,x,z+1/6
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 0.3266000000 0.0980000000 0.0864000000  Biso 1.0 Al 6 a
Al2 1.0000000000 0.8807000000 0.2456000000 0.0917000000  Biso 1.0 Al 6 a
Al3 1.0000000000 0.8111000000 0.7080000000 0.0954000000  Biso 1.0 Al 6 a
Al4 1.0000000000 0.3308000000 0.6452000000 0.0906000000  Biso 1.0 Al 6 a
Na5 1.0000000000 0.0205000000 0.5648000000 0.0356000000  Biso 1.0 Na 6 a
Na6 1.0000000000 0.4735000000 0.4421000000 0.0303000000  Biso 1.0 Na 6 a
Na7 1.0000000000 0.5183000000 0.5574000000 0.1864000000  Biso 1.0 Na 6 a
Na8 1.0000000000 0.0043000000 0.0149000000 0.0280000000  Biso 1.0 Na 6 a
O10 1.0000000000 0.0584000000 0.3363000000 0.9259000000  Biso 1.0 O 6 a
O11 1.0000000000 0.0281000000 0.2729000000 0.1362000000  Biso 1.0 O 6 a
O12 1.0000000000 0.2765000000 0.3131000000 0.1869000000  Biso 1.0 O 6 a
O13 1.0000000000 0.0581000000 0.7541000000 0.1950000000  Biso 1.0 O 6 a
O14 1.0000000000 0.1918000000 0.1587000000 0.0955000000  Biso 1.0 O 6 a
O15 1.0000000000 0.6810000000 0.5348000000 0.1264000000  Biso 1.0 O 6 a
O16 1.0000000000 0.8617000000 0.0543000000 0.9606000000  Biso 1.0 O 6 a
O17 1.0000000000 0.9600000000 0.2904000000 0.0271000000  Biso 1.0 O 6 a
O18 1.0000000000 0.7696000000 0.2587000000 0.9493000000  Biso 1.0 O 6 a
O19 1.0000000000 0.1799000000 0.6454000000 0.1262000000  Biso 1.0 O 6 a
O20 1.0000000000 0.5167000000 0.2485000000 0.0918000000  Biso 1.0 O 6 a
O21 1.0000000000 0.2881000000 0.9467000000 0.1303000000  Biso 1.0 O 6 a
O22 1.0000000000 0.3024000000 0.6774000000 0.0239000000  Biso 1.0 O 6 a
O23 1.0000000000 0.0045000000 0.7562000000 0.0920000000  Biso 1.0 O 6 a
O24 1.0000000000 0.8212000000 0.3766000000 0.1086000000  Biso 1.0 O 6 a
O9 1.0000000000 0.3137000000 0.4629000000 0.0967000000  Biso 1.0 O 6 a
Si25 1.0000000000 0.2024000000 0.3036000000 0.1279000000  Biso 1.0 Si 6 a
Si26 1.0000000000 0.3637000000 0.7023000000 0.9626000000  Biso 1.0 Si 6 a
Si27 1.0000000000 0.9122000000 0.2364000000 0.9650000000  Biso 1.0 Si 6 a
Si28 1.0000000000 0.1334000000 0.7782000000 0.1358000000  Biso 1.0 Si 6 a
