# 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:  Ag51Gd14

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A27B7_hP68_175_chjk3l_ejk-001

# Last updated on 2024/08/02

data_Ag54Gd14
_pd_phase_name Ag54Gd14
_cell_length_a  12.6700000000
_cell_length_b  12.6700000000
_cell_length_c  9.3300000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  120.0000000000
_symmetry_space_group_name_H-M  'P6/m'
_symmetry_Int_Tables_Number  175
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -y,x-y,z
  3  -x+y,-x,z
  4  -x,-y,z
  5  y,-x+y,z
  6  x-y,x,z
  7  -x,-y,-z
  8  y,-x+y,-z
  9  x-y,x,-z
  10  x,y,-z
  11  -y,x-y,-z
  12  -x+y,-x,-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
Ag1 1.0000000000 0.3333300000 0.6666700000 0.0000000000  Biso 1.0 Ag 2 c
Gd8 1.0000000000 0.0000000000 0.0000000000 0.3060000000  Biso 1.0 Gd 2 e
Ag2 1.0000000000 0.3333300000 0.6666700000 0.2987000000  Biso 1.0 Ag 4 h
Ag3 1.0000000000 0.1131000000 0.1324000000 0.0000000000  Biso 1.0 Ag 6 j
Gd9 1.0000000000 0.3898000000 0.1138000000 0.0000000000  Biso 1.0 Gd 6 j
Ag4 1.0000000000 0.2383000000 0.0589000000 0.5000000000  Biso 1.0 Ag 6 k
Gd10 1.0000000000 0.1394000000 0.4680000000 0.5000000000  Biso 1.0 Gd 6 k
Ag5 1.0000000000 0.2662000000 0.1918000000 0.2370000000  Biso 1.0 Ag 12 l
Ag6 1.0000000000 0.1155000000 0.4944000000 0.1526000000  Biso 1.0 Ag 12 l
Ag7 1.0000000000 0.4390000000 0.1049000000 0.3305000000  Biso 1.0 Ag 12 l
