# 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:  Ag5O6Pb2

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A5B6C2_hP13_157_2ac_2c_b-001

# Last updated on 2024/08/01

data_Ag5O6Pb2
_pd_phase_name Ag5O6Pb2
_cell_length_a  5.9390000000
_cell_length_b  5.9390000000
_cell_length_c  6.4280000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  120.0000000000
_symmetry_space_group_name_H-M  'P31m'
_symmetry_Int_Tables_Number  157
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -y,x-y,z
  3  -x+y,-x,z
  4  y,x,z
  5  x-y,-y,z
  6  -x,-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
Ag1 1.0000000000 0.0000033333 0.9999966667 0.2640000000  Biso 1.0 Ag 1 a
Ag2 1.0000000000 0.0000033333 0.9999966667 0.7360000000  Biso 1.0 Ag 1 a
Pb6 1.0000000000 0.3333333333 0.6666666667 0.0220000000  Biso 1.0 Pb 2 b
Ag3 1.0000000000 0.5000033333 0.9999966667 0.5220000000  Biso 1.0 Ag 3 c
O4 1.0000000000 0.6030033333 0.9999966667 0.2150000000  Biso 1.0 O 3 c
O5 1.0000000000 0.3970033333 0.9999966667 0.8290000000  Biso 1.0 O 3 c
