# 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:  Na4O4Si

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A4B4C_aP18_2_4i_4i_i-002

# Last updated on 2024/08/01

data_Na8O8Si2
_pd_phase_name Na8O8Si2
_cell_length_a  5.5760000000
_cell_length_b  5.5760000000
_cell_length_c  8.3930000000
_cell_angle_alpha  80.9200000000
_cell_angle_beta  71.8400000000
_cell_angle_gamma  67.4400000000
_symmetry_space_group_name_H-M  'P-1'
_symmetry_Int_Tables_Number  2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x,-y,-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
Na1 1.0000000000 0.4545000000 0.7319000000 0.1113000000  Biso 1.0 Na 2 i
Na2 1.0000000000 0.7351000000 0.2565000000 0.4803000000  Biso 1.0 Na 2 i
Na3 1.0000000000 0.9038000000 0.7640000000 0.3318000000  Biso 1.0 Na 2 i
Na4 1.0000000000 0.9828000000 0.2323000000 0.0617000000  Biso 1.0 Na 2 i
O5 1.0000000000 0.1564000000 0.0428000000 0.3074000000  Biso 1.0 O 2 i
O6 1.0000000000 0.2093000000 0.4625000000 0.1259000000  Biso 1.0 O 2 i
O7 1.0000000000 0.3473000000 0.3558000000 0.4116000000  Biso 1.0 O 2 i
O8 1.0000000000 0.6498000000 0.0443000000 0.1486000000  Biso 1.0 O 2 i
Si9 1.0000000000 0.3438000000 0.2252000000 0.2521000000  Biso 1.0 Si 2 i
