# 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:  Al8-xNa8-xO32Si8+x nepheline

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A2B3C9D2_hP64_173_bc_2c_6c_bc-001

# Last updated on 2024/08/01

data_Al8Na12O36Si8
_pd_phase_name Al8Na12O36Si8
_cell_length_a  9.9580000000
_cell_length_b  9.9580000000
_cell_length_c  8.3410000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  120.0000000000
_symmetry_space_group_name_H-M  'P6_{3}'
_symmetry_Int_Tables_Number  173
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -y,x-y,z
  3  -x+y,-x,z
  4  -x,-y,z+1/2
  5  y,-x+y,z+1/2
  6  x-y,x,z+1/2
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 0.3333333333 0.6666666667 0.6829000000  Biso 1.0 Al 2 b
Si11 1.0000000000 0.3333333333 0.6666666667 0.2916000000  Biso 1.0 Si 2 b
Al2 1.0000000000 0.3301033333 0.0932966667 0.6756000000  Biso 1.0 Al 6 c
Na3 1.0000000000 0.4431033333 0.9977966667 0.9882000000  Biso 1.0 Na 6 c
Na4 1.0000000000 0.0286033333 0.0379966667 0.4810000000  Biso 1.0 Na 6 c
O10 1.0000000000 0.2668033333 0.2238966667 0.6794000000  Biso 1.0 O 6 c
O5 1.0000000000 0.7080033333 0.3429966667 0.9829000000  Biso 1.0 O 6 c
O6 1.0000000000 0.3134033333 0.0241966667 0.4806000000  Biso 1.0 O 6 c
O7 1.0000000000 0.5222033333 0.1736966667 0.7255000000  Biso 1.0 O 6 c
O8 1.0000000000 0.5090033333 0.1634966667 0.2424000000  Biso 1.0 O 6 c
O9 1.0000000000 0.2855033333 0.2281966667 0.3055000000  Biso 1.0 O 6 c
Si12 1.0000000000 0.3321033333 0.0934966667 0.3034000000  Biso 1.0 Si 6 c
