# 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:  Li7Sn3

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A7B3_mP20_11_7e_3e-001

# Last updated on 2024/08/01

data_Li14Sn6
_pd_phase_name Li14Sn6
_cell_length_a  8.5600000000
_cell_length_b  4.7200000000
_cell_length_c  9.4500000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  105.9500000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'P2_{1}/m'
_symmetry_Int_Tables_Number  11
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x,y+1/2,-z
  3  -x,-y,-z
  4  x,-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
Li1 1.0000000000 0.6080000000 0.2500000000 0.2680000000  Biso 1.0 Li 2 e
Li2 1.0000000000 0.9930000000 0.2500000000 0.8660000000  Biso 1.0 Li 2 e
Li3 1.0000000000 0.0020000000 0.2500000000 0.3780000000  Biso 1.0 Li 2 e
Li4 1.0000000000 0.1970000000 0.2500000000 0.6880000000  Biso 1.0 Li 2 e
Li5 1.0000000000 0.1900000000 0.2500000000 0.1790000000  Biso 1.0 Li 2 e
Li6 1.0000000000 0.3990000000 0.2500000000 0.4670000000  Biso 1.0 Li 2 e
Li7 1.0000000000 0.3940000000 0.2500000000 0.9790000000  Biso 1.0 Li 2 e
Sn10 1.0000000000 0.8021000000 0.2500000000 0.5682000000  Biso 1.0 Sn 2 e
Sn8 1.0000000000 0.6005000000 0.2500000000 0.7749000000  Biso 1.0 Sn 2 e
Sn9 1.0000000000 0.8026000000 0.2500000000 0.0821000000  Biso 1.0 Sn 2 e
