# 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:  Al4Cu9 gamma-brass D83

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A4B9_cP52_215_ei_3efgi-001

# Last updated on 2024/08/01

data_Al16Cu36
_pd_phase_name Al16Cu36
_cell_length_a  8.7068000000
_cell_length_b  8.7068000000
_cell_length_c  8.7068000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'P-43m'
_symmetry_Int_Tables_Number  215
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x,-y,z
  3  -x,y,-z
  4  x,-y,-z
  5  z,x,y
  6  z,-x,-y
  7  -z,-x,y
  8  -z,x,-y
  9  y,z,x
  10  -y,z,-x
  11  y,-z,-x
  12  -y,-z,x
  13  y,x,z
  14  -y,-x,z
  15  y,-x,-z
  16  -y,x,-z
  17  x,z,y
  18  -x,z,-y
  19  -x,-z,y
  20  x,-z,-y
  21  z,y,x
  22  z,-y,-x
  23  -z,y,-x
  24  -z,-y,x
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
Al1 1.0000000000 0.1157000000 0.1157000000 0.1157000000  Biso 1.0 Al 4 e
Cu3 1.0000000000 0.8296000000 0.8296000000 0.8296000000  Biso 1.0 Cu 4 e
Cu4 1.0000000000 0.3253000000 0.3253000000 0.3253000000  Biso 1.0 Cu 4 e
Cu5 1.0000000000 0.6066000000 0.6066000000 0.6066000000  Biso 1.0 Cu 4 e
Cu6 1.0000000000 0.3534000000 0.0000000000 0.0000000000  Biso 1.0 Cu 6 f
Cu7 1.0000000000 0.8549000000 0.5000000000 0.5000000000  Biso 1.0 Cu 6 g
Al2 1.0000000000 0.8113000000 0.8113000000 0.5332000000  Biso 1.0 Al 12 i
Cu8 1.0000000000 0.3153000000 0.3153000000 0.0322000000  Biso 1.0 Cu 12 i
