# 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:  La43Mg5Ni17

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A43B5C17_oC260_63_c8fg6h_cfg_ce3f2h-001

# Last updated on 2024/08/01

data_La172Mg20Ni68
_pd_phase_name La172Mg20Ni68
_cell_length_a  10.1189500000
_cell_length_b  17.6044000000
_cell_length_c  42.1700000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'Cmcm'
_symmetry_Int_Tables_Number  63
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x,-y,z+1/2
  3  -x,y,-z+1/2
  4  x,-y,-z
  5  -x,-y,-z
  6  x,y,-z+1/2
  7  x,-y,z+1/2
  8  -x,y,z
  9  x+1/2,y+1/2,z
  10  -x+1/2,-y+1/2,z+1/2
  11  -x+1/2,y+1/2,-z+1/2
  12  x+1/2,-y+1/2,-z
  13  -x+1/2,-y+1/2,-z
  14  x+1/2,y+1/2,-z+1/2
  15  x+1/2,-y+1/2,z+1/2
  16  -x+1/2,y+1/2,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
La1 1.0000000000 0.0000000000 0.3899800000 0.2500000000  Biso 1.0 La 4 c
Mg17 1.0000000000 0.0000000000 0.0432000000 0.2500000000  Biso 1.0 Mg 4 c
Ni20 1.0000000000 0.0000000000 0.5987000000 0.2500000000  Biso 1.0 Ni 4 c
Ni21 1.0000000000 0.1275000000 0.0000000000 0.0000000000  Biso 1.0 Ni 8 e
La2 1.0000000000 0.0000000000 0.1399200000 0.1741200000  Biso 1.0 La 8 f
La3 1.0000000000 0.0000000000 0.7278000000 0.2064800000  Biso 1.0 La 8 f
La4 1.0000000000 -0.0000000000 0.1972300000 0.6263200000  Biso 1.0 La 8 f
La5 1.0000000000 0.0000000000 0.1388000000 0.0288400000  Biso 1.0 La 8 f
La6 1.0000000000 0.0000000000 0.3906500000 0.0988000000  Biso 1.0 La 8 f
La7 1.0000000000 -0.0000000000 0.0678800000 0.5556900000  Biso 1.0 La 8 f
La8 1.0000000000 0.0000000000 0.5987600000 0.1328000000  Biso 1.0 La 8 f
La9 1.0000000000 -0.0000000000 0.2807900000 0.5476100000  Biso 1.0 La 8 f
Mg18 1.0000000000 -0.0000000000 0.0678000000 0.6912000000  Biso 1.0 Mg 8 f
Ni22 1.0000000000 0.0000000000 0.0779700000 0.0922400000  Biso 1.0 Ni 8 f
Ni23 1.0000000000 0.0000000000 0.4533700000 0.1675000000  Biso 1.0 Ni 8 f
Ni24 1.0000000000 0.0000000000 0.4314600000 0.0091000000  Biso 1.0 Ni 8 f
La10 1.0000000000 0.6860700000 0.7042200000 0.2500000000  Biso 1.0 La 8 g
Mg19 1.0000000000 0.8338000000 0.8774000000 0.2500000000  Biso 1.0 Mg 8 g
La11 1.0000000000 0.6882800000 0.8289800000 0.1740000000  Biso 1.0 La 16 h
La12 1.0000000000 0.6934400000 0.7014000000 0.1012300000  Biso 1.0 La 16 h
La13 1.0000000000 0.8073100000 0.5349900000 0.2065500000  Biso 1.0 La 16 h
La14 1.0000000000 0.8049500000 0.9959600000 0.1268100000  Biso 1.0 La 16 h
La15 1.0000000000 0.6957800000 0.8301800000 0.0260000000  Biso 1.0 La 16 h
La16 1.0000000000 0.8169700000 0.5348300000 0.0452200000  Biso 1.0 La 16 h
Ni25 1.0000000000 0.7812000000 0.6721300000 0.1682800000  Biso 1.0 Ni 16 h
Ni26 1.0000000000 0.7807000000 0.8593600000 0.0906700000  Biso 1.0 Ni 16 h
