# 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:  Ge9Na4O20

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A9B4C20_tI132_88_a2f_f_5f-001

# Last updated on 2024/08/01

data_Ge36Na16O80
_pd_phase_name Ge36Na16O80
_cell_length_a  14.9799900000
_cell_length_b  14.9799900000
_cell_length_c  7.3840000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'I4_{1}/a'
_symmetry_Int_Tables_Number  88
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x+1/2,-y,z+1/2
  3  -y+3/4,x+1/4,z+1/4
  4  y+3/4,-x+3/4,z+3/4
  5  -x,-y,-z
  6  x+1/2,y,-z+1/2
  7  y+1/4,-x+3/4,-z+3/4
  8  -y+1/4,x+1/4,-z+1/4
  9  x+1/2,y+1/2,z+1/2
  10  -x,-y+1/2,z
  11  -y+1/4,x+3/4,z+3/4
  12  y+1/4,-x+1/4,z+1/4
  13  -x+1/2,-y+1/2,-z+1/2
  14  x,y+1/2,-z
  15  y+3/4,-x+1/4,-z+1/4
  16  -y+3/4,x+3/4,-z+3/4
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
Ge1 1.0000000000 0.0000000000 0.2500000000 0.1250000000  Biso 1.0 Ge 4 a
Ge2 1.0000000000 0.6366000000 0.5460000000 0.2009000000  Biso 1.0 Ge 16 f
Ge3 1.0000000000 0.0956000000 0.2180000000 0.4912000000  Biso 1.0 Ge 16 f
Na4 1.0000000000 0.5878000000 0.5544000000 0.6702000000  Biso 1.0 Na 16 f
O5 1.0000000000 0.0928000000 0.2127000000 0.2448000000  Biso 1.0 O 16 f
O6 1.0000000000 0.0824000000 0.2227000000 0.7476000000  Biso 1.0 O 16 f
O7 1.0000000000 0.6889000000 0.5739000000 0.4074000000  Biso 1.0 O 16 f
O8 1.0000000000 0.0253000000 0.0446000000 0.7555000000  Biso 1.0 O 16 f
O9 1.0000000000 0.6554000000 0.6088000000 0.0070000000  Biso 1.0 O 16 f
