# 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:  F2Sn

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A2B_oP12_19_2a_a-002

# Last updated on 2024/08/01

data_F2Sn
_pd_phase_name F2Sn
_cell_length_a  4.9889000000
_cell_length_b  5.1392000000
_cell_length_c  8.4777000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'P2_{1}2_{1}2_{1}'
_symmetry_Int_Tables_Number  19
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x+1/2,-y,z+1/2
  3  -x,y+1/2,-z+1/2
  4  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
F1  1.0000000000 0.5410000000 0.6630000000 0.4960000000  Biso 1.0 F  4 a
F2  1.0000000000 0.3780000000 0.7020000000 0.8850000000  Biso 1.0 F  4 a
Sn3 1.0000000000 0.2740000000 0.5230000000 0.6300000000  Biso 1.0 Sn 4 a
