# 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:  Al7Cu2Fe E9a

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A7B2C_tP40_128_egi_h_e-001

# Last updated on 2024/08/01

data_Al28Cu8Fe4
_pd_phase_name Al28Cu8Fe4
_cell_length_a  6.3360000000
_cell_length_b  6.3360000000
_cell_length_c  14.8700000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'P4/mnc'
_symmetry_Int_Tables_Number  128
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+1/2,y+1/2,-z+1/2
  6  x+1/2,-y+1/2,-z+1/2
  7  y+1/2,x+1/2,-z+1/2
  8  -y+1/2,-x+1/2,-z+1/2
  9  -x,-y,-z
  10  x,y,-z
  11  y,-x,-z
  12  -y,x,-z
  13  x+1/2,-y+1/2,z+1/2
  14  -x+1/2,y+1/2,z+1/2
  15  -y+1/2,-x+1/2,z+1/2
  16  y+1/2,x+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
Al1 1.0000000000 0.0000000000 0.0000000000 0.1340000000  Biso 1.0 Al 4 e
Fe5 1.0000000000 0.0000000000 0.0000000000 0.2992000000  Biso 1.0 Fe 4 e
Al2 1.0000000000 0.1650000000 0.6650000000 0.2500000000  Biso 1.0 Al 8 g
Cu4 1.0000000000 0.2780000000 0.0880000000 -0.0000000000  Biso 1.0 Cu 8 h
Al3 1.0000000000 0.1980000000 0.4200000000 0.1000000000  Biso 1.0 Al 16 i
