# 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:  MgZn B30

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/AB_oI48_44_6c_abc2de-001

# Last updated on 2024/08/01

data_Mg24Zn24
_pd_phase_name Mg24Zn24
_cell_length_a  17.1600000000
_cell_length_b  7.5377600000
_cell_length_c  7.5377600000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'Imm2'
_symmetry_Int_Tables_Number  44
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
Zn7 1.0000000000 0.0000000000 0.0000000000 0.0416700000  Biso 1.0 Zn 2 a
Zn8 1.0000000000 0.0000000000 0.5000000000 0.5416700000  Biso 1.0 Zn 2 b
Mg1 1.0000000000 0.0937500000 -0.0000000000 0.5416700000  Biso 1.0 Mg 4 c
Mg2 1.0000000000 0.5937500000 0.0000000000 0.5416700000  Biso 1.0 Mg 4 c
Mg3 1.0000000000 0.8437500000 0.0000000000 0.2083300000  Biso 1.0 Mg 4 c
Mg4 1.0000000000 0.3437500000 0.0000000000 0.2083300000  Biso 1.0 Mg 4 c
Mg5 1.0000000000 0.5937500000 0.0000000000 0.8750000000  Biso 1.0 Mg 4 c
Mg6 1.0000000000 0.1562500000 0.0000000000 0.8750000000  Biso 1.0 Mg 4 c
Zn11 1.0000000000 0.7500000000 0.0000000000 0.7083300000  Biso 1.0 Zn 4 c
Zn10 1.0000000000 0.0000000000 0.7500000000 0.7916700000  Biso 1.0 Zn 4 d
Zn9 1.0000000000 0.0000000000 0.2500000000 0.2916700000  Biso 1.0 Zn 4 d
Zn12 1.0000000000 0.7500000000 0.2500000000 0.4583300000  Biso 1.0 Zn 8 e
