# 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:  Gd2Ni3Ga5

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A5B2C3_oP80_48_abgij3m_2m_cdh2m-001

# Last updated on 2024/07/30

data_A5B2C3_oP80_48_abgij3m_2m_cdh2m-001
_pd_phase_name A5B2C3_oP80_48_abgij3m_2m_cdh2m-001
_cell_length_a  12.2606300000
_cell_length_b  11.1368000000
_cell_length_c  9.8540000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'Pnnn'
_symmetry_Int_Tables_Number  48
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  -x+1/2,-y+1/2,-z+1/2
  6  x+1/2,y+1/2,-z+1/2
  7  x+1/2,-y+1/2,z+1/2
  8  -x+1/2,y+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
Ga1  1.0000000000 0.0000000000 0.0000000000 0.0000000000  Biso 1.0 Ga 2 a
Ga2  1.0000000000 0.5000000000 0.0000000000 0.0000000000  Biso 1.0 Ga 2 b
Ni3  1.0000000000 0.0000000000 0.0000000000 0.5000000000  Biso 1.0 Ni 2 c
Ni4  1.0000000000 0.0000000000 0.5000000000 0.0000000000  Biso 1.0 Ni 2 d
Ga5  1.0000000000 0.7871000000 0.0000000000 0.0000000000  Biso 1.0 Ga 4 g
Ni6  1.0000000000 0.2950000000 0.0000000000 0.5000000000  Biso 1.0 Ni 4 h
Ga7  1.0000000000 0.0000000000 0.7242000000 0.0000000000  Biso 1.0 Ga 4 i
Ga8  1.0000000000 0.5000000000 0.7488000000 0.0000000000  Biso 1.0 Ga 4 j
Ga9  1.0000000000 0.2035000000 0.7487000000 0.0064000000  Biso 1.0 Ga 8 m
Ga10 1.0000000000 0.1520000000 0.8811000000 0.3902000000  Biso 1.0 Ga 8 m
Ga11 1.0000000000 0.6189000000 0.8877000000 0.3254000000  Biso 1.0 Ga 8 m
Gd12 1.0000000000 0.8816000000 0.3630000000 0.2777000000  Biso 1.0 Gd 8 m
Gd13 1.0000000000 0.8809000000 0.8702000000 0.2722000000  Biso 1.0 Gd 8 m
Ni14 1.0000000000 0.0932000000 0.8776000000 0.1598000000  Biso 1.0 Ni 8 m
Ni15 1.0000000000 0.6468000000 0.8744000000 0.0872000000  Biso 1.0 Ni 8 m
