# 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:  NS2

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/AB2_tP24_102_d_2cd-001

# Last updated on 2024/08/01

data_N8S16
_pd_phase_name N8S16
_cell_length_a  11.2500000000
_cell_length_b  11.2500000000
_cell_length_c  3.8360000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'P4_{2}nm'
_symmetry_Int_Tables_Number  102
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x,-y,z
  3  -y+1/2,x+1/2,z+1/2
  4  y+1/2,-x+1/2,z+1/2
  5  x+1/2,-y+1/2,z+1/2
  6  -x+1/2,y+1/2,z+1/2
  7  -y,-x,z
  8  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
S2 1.0000000000 0.1115000000 0.1115000000 0.0000000000  Biso 1.0 S 4 c
S3 1.0000000000 0.3200000000 0.3200000000 0.0525000000  Biso 1.0 S 4 c
N1 1.0000000000 0.2425000000 0.0707000000 0.0616000000  Biso 1.0 N 8 d
S4 1.0000000000 0.3530000000 0.1505000000 0.2278000000  Biso 1.0 S 8 d
