# 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

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A_mP32_14_8e-002

# Last updated on 2024/08/01

data_Se32
_pd_phase_name Se32
_cell_length_a  11.6009965973
_cell_length_b  9.0830000000
_cell_length_c  14.8164702000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  142.3370223758
_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 0.5571000000 0.0160000000 0.3209000000  Biso 1.0 Se 4 e
Se2 1.0000000000 0.7823000000 0.8375000000 0.4254000000  Biso 1.0 Se 4 e
Se3 1.0000000000 0.8556000000 0.8624000000 0.3178000000  Biso 1.0 Se 4 e
Se4 1.0000000000 0.6872000000 0.6814000000 0.1343000000  Biso 1.0 Se 4 e
Se5 1.0000000000 0.4341000000 0.8096000000 0.9138000000  Biso 1.0 Se 4 e
Se6 1.0000000000 0.1729000000 0.7678000000 0.8435000000  Biso 1.0 Se 4 e
Se7 1.0000000000 0.1476000000 0.9783000000 0.9186000000  Biso 1.0 Se 4 e
Se8 1.0000000000 0.2638000000 0.9010000000 0.1301000000  Biso 1.0 Se 4 e
