# 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:  Ag2O2Pb

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A2B2C_mC20_15_ac_f_e-001

# Last updated on 2024/08/01

data_Ag8O8Pb4
_pd_phase_name Ag8O8Pb4
_cell_length_a  9.2251218499
_cell_length_b  8.7150000000
_cell_length_c  6.5553003420
_cell_angle_alpha  90.0000000000
_cell_angle_beta  138.8589147312
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'C2/c'
_symmetry_Int_Tables_Number  15
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x,y,-z+1/2
  3  -x,-y,-z
  4  x,-y,z+1/2
  5  x+1/2,y+1/2,z
  6  -x+1/2,y+1/2,-z+1/2
  7  -x+1/2,-y+1/2,-z
  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
Ag2 1.0000000000 0.0000000000 0.0000000000 0.0000000000  Biso 1.0 Ag 4 a
Ag1 1.0000000000 0.2500000000 0.2500000000 -0.0000000000  Biso 1.0 Ag 4 c
Pb4 1.0000000000 -0.0000000000 0.3750000000 0.2500000000  Biso 1.0 Pb 4 e
O3 1.0000000000 0.3110000000 0.6950000000 0.2570000000  Biso 1.0 O 8 f
