# 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:  GdSn3

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/AB3_oC16_38_ab_3a3b-001

# Last updated on 2024/08/01

data_Gd4Sn12
_pd_phase_name Gd4Sn12
_cell_length_a  4.3590000000
_cell_length_b  4.4060000000
_cell_length_c  22.0580000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'Amm2'
_symmetry_Int_Tables_Number  38
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,y+1/2,z+1/2
  6  -x,-y+1/2,z+1/2
  7  x,-y+1/2,z+1/2
  8  -x,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
Gd1 1.0000000000 -0.0000000000 0.0000000000 0.2150000000  Biso 1.0 Gd 2 a
Sn3 1.0000000000 0.0000000000 0.0000000000 0.0000000000  Biso 1.0 Sn 2 a
Sn4 1.0000000000 -0.0000000000 0.0000000000 0.3650000000  Biso 1.0 Sn 2 a
Sn5 1.0000000000 0.0000000000 0.0000000000 0.6150000000  Biso 1.0 Sn 2 a
Gd2 1.0000000000 0.5000000000 0.0000000000 0.4600000000  Biso 1.0 Gd 2 b
Sn6 1.0000000000 0.5000000000 0.0000000000 0.0920000000  Biso 1.0 Sn 2 b
Sn7 1.0000000000 0.5000000000 0.0000000000 0.7250000000  Biso 1.0 Sn 2 b
Sn8 1.0000000000 0.5000000000 0.0000000000 0.8540000000  Biso 1.0 Sn 2 b
