# 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:  Au31Mn9

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A31B9_tP40_83_ae3j4k_cjk-001

# Last updated on 2024/08/01

data_Au31Mn9
_pd_phase_name Au31Mn9
_cell_length_a  12.6000000000
_cell_length_b  12.6000000000
_cell_length_c  4.0000000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'P4/m'
_symmetry_Int_Tables_Number  83
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x,-y,z
  3  -y,x,z
  4  y,-x,z
  5  -x,-y,-z
  6  x,y,-z
  7  y,-x,-z
  8  -y,x,-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
Au1 1.0000000000 -0.0000000000 -0.0000000000 0.0000000000  Biso 1.0 Au 1 a
Mn10 1.0000000000 0.5000000000 0.5000000000 0.0000000000  Biso 1.0 Mn 1 c
Au2 1.0000000000 -0.0000000000 0.5000000000 0.0000000000  Biso 1.0 Au 2 e
Au3 1.0000000000 0.6000000000 0.7000000000 0.0000000000  Biso 1.0 Au 4 j
Au4 1.0000000000 0.7000000000 0.9000000000 0.0000000000  Biso 1.0 Au 4 j
Au5 1.0000000000 0.8000000000 0.6000000000 0.0000000000  Biso 1.0 Au 4 j
Mn11 1.0000000000 0.9000000000 0.8000000000 0.0000000000  Biso 1.0 Mn 4 j
Au6 1.0000000000 0.6500000000 0.5500000000 0.5000000000  Biso 1.0 Au 4 k
Au7 1.0000000000 0.7500000000 0.7500000000 0.5000000000  Biso 1.0 Au 4 k
Au8 1.0000000000 0.8500000000 0.9500000000 0.5000000000  Biso 1.0 Au 4 k
Au9 1.0000000000 0.9500000000 0.6500000000 0.5000000000  Biso 1.0 Au 4 k
Mn12 1.0000000000 0.5500000000 0.8500000000 0.5000000000  Biso 1.0 Mn 4 k
