# 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:  Al2O4Pb

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A2B4C_oC28_40_c_abc_b-001

# Last updated on 2024/08/01

data_Al8O16Pb4
_pd_phase_name Al8O16Pb4
_cell_length_a  8.4580000000
_cell_length_b  9.2339900000
_cell_length_c  5.0700000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'Ama2'
_symmetry_Int_Tables_Number  40
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x,-y,z
  3  x+1/2,-y,z
  4  -x+1/2,y,z
  5  x,y+1/2,z+1/2
  6  -x,-y+1/2,z+1/2
  7  x+1/2,-y+1/2,z+1/2
  8  -x+1/2,y+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
O2 1.0000000000 0.0000000000 0.0000000000 0.6412000000  Biso 1.0 O 4 a
O3 1.0000000000 0.2500000000 0.6849000000 0.1527000000  Biso 1.0 O 4 b
Pb5 1.0000000000 0.2500000000 0.5299000000 0.5003000000  Biso 1.0 Pb 4 b
Al1 1.0000000000 0.0541000000 0.6717000000 0.0327000000  Biso 1.0 Al 8 c
O4 1.0000000000 0.0564000000 0.6908000000 0.6877000000  Biso 1.0 O 8 c
