# 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:  FeNi tetrataenite

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/AB_mP4_6_2a_2b-001

# Last updated on 2024/08/01

data_FeNi
_pd_phase_name FeNi
_cell_length_a  3.5810000000
_cell_length_b  3.5820000000
_cell_length_c  3.5870000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0400000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'Pm'
_symmetry_Int_Tables_Number  6
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  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
Fe1 1.0000000000 0.4920000000 0.0000000000 0.0060000000  Biso 1.0 Fe 1 a
Fe2 1.0000000000 0.9890000000 0.0000000000 0.4800000000  Biso 1.0 Fe 1 a
Ni3 1.0000000000 0.0000000000 0.5000000000 0.0000000000  Biso 1.0 Ni 1 b
Ni4 1.0000000000 0.5180000000 0.5000000000 0.5070000000  Biso 1.0 Ni 1 b
