# 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:  Se Ak

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A_mP64_14_16e-001

# Last updated on 2024/08/01
data_Se
_pd_phase_name Se
_cell_length_a  17.8720080463
_cell_length_b  14.7130000000
_cell_length_c  8.7890000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  123.0030992398
_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
Se1  1.0000000000 0.8168700000 0.6406300000 0.7823600000  Biso 1.0 Se 4 e
Se2  1.0000000000 0.7714400000 0.7840800000 0.6488200000  Biso 1.0 Se 4 e
Se3  1.0000000000 0.6445200000 0.8190700000 0.6500000000  Biso 1.0 Se 4 e
Se4  1.0000000000 0.5217400000 0.7877600000 0.3604300000  Biso 1.0 Se 4 e
Se5  1.0000000000 0.4714700000 0.6443800000 0.3780200000  Biso 1.0 Se 4 e
Se6  1.0000000000 0.5203400000 0.5403300000 0.2493200000  Biso 1.0 Se 4 e
Se7  1.0000000000 0.6370400000 0.4718200000 0.4858100000  Biso 1.0 Se 4 e
Se8  1.0000000000 0.7747900000 0.5426100000 0.5404900000  Biso 1.0 Se 4 e
Se9  1.0000000000 0.9044800000 0.9860100000 0.7623500000  Biso 1.0 Se 4 e
Se10 1.0000000000 0.9870200000 0.0888300000 0.7088700000  Biso 1.0 Se 4 e
Se11 1.0000000000 0.0193100000 0.2147600000 0.8979600000  Biso 1.0 Se 4 e
Se12 1.0000000000 0.9165300000 0.3294500000 0.7310000000  Biso 1.0 Se 4 e
Se13 1.0000000000 0.8082300000 0.3133800000 0.7986000000  Biso 1.0 Se 4 e
Se14 1.0000000000 0.6898000000 0.2396100000 0.5457800000  Biso 1.0 Se 4 e
Se15 1.0000000000 0.6916600000 0.0913700000 0.6438800000  Biso 1.0 Se 4 e
Se16 1.0000000000 0.7564700000 0.0055300000 0.5229400000  Biso 1.0 Se 4 e
