# 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:  H3NaO3Zn

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A3BC3D_tP64_106_3c_c_3c_c-001

# Last updated on 2024/08/01

data_H24Na8O24Zn8
_pd_phase_name H24Na8O24Zn8
_cell_length_a  10.8310000000
_cell_length_b  10.8310000000
_cell_length_c  5.3300000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'P4_{2}bc'
_symmetry_Int_Tables_Number  106
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x,-y,z
  3  -y,x,z+1/2
  4  y,-x,z+1/2
  5  x+1/2,-y+1/2,z
  6  -x+1/2,y+1/2,z
  7  -y+1/2,-x+1/2,z+1/2
  8  y+1/2,x+1/2,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
H1 1.0000000000 0.8360000000 0.6140000000 0.2000000000  Biso 1.0 H 8 c
H2 1.0000000000 0.5310000000 0.8450000000 0.1100000000  Biso 1.0 H 8 c
H3 1.0000000000 0.8580000000 0.8250000000 0.0800000000  Biso 1.0 H 8 c
Na4 1.0000000000 0.5929000000 0.6203600000 0.0343000000  Biso 1.0 Na 8 c
O5 1.0000000000 0.8146000000 0.6194000000 0.0688000000  Biso 1.0 O 8 c
O6 1.0000000000 0.5681000000 0.8298000000 0.1322000000  Biso 1.0 O 8 c
O7 1.0000000000 0.8669000000 0.9006000000 0.0636000000  Biso 1.0 O 8 c
Zn8 1.0000000000 0.6928500000 0.9432300000 0.0000000000  Biso 1.0 Zn 8 c
