# 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:  NS

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/AB_mP32_14_4e_4e-004

# Last updated on 2024/08/01

data_N16S16
_pd_phase_name N16S16
_cell_length_a  8.7499968203
_cell_length_b  7.1600000000
_cell_length_c  12.5693225696
_cell_angle_alpha  90.0000000000
_cell_angle_beta  136.5652177906
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'P2_{1}/c'
_symmetry_Int_Tables_Number  14
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x,y+1/2,-z+1/2
  3  -x,-y,-z
  4  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
N1 1.0000000000 0.0168000000 0.7587000000 0.0238000000  Biso 1.0 N 4 e
N2 1.0000000000 0.6249000000 0.7309000000 0.6077000000  Biso 1.0 N 4 e
N3 1.0000000000 0.0164000000 0.6075000000 0.8403000000  Biso 1.0 N 4 e
N4 1.0000000000 0.6254000000 0.8851000000 0.7917000000  Biso 1.0 N 4 e
S5 1.0000000000 0.6898000000 0.9260000000 0.7004000000  Biso 1.0 S 4 e
S6 1.0000000000 0.7557000000 0.7088000000 0.9057000000  Biso 1.0 S 4 e
S7 1.0000000000 0.0836000000 0.7951000000 0.9348000000  Biso 1.0 S 4 e
S8 1.0000000000 0.7566000000 0.5535000000 0.7213000000  Biso 1.0 S 4 e
