# 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 Al

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A_mP32_14_8e-001

# Last updated on 2024/08/01
data_Se32
_pd_phase_name Se32
_cell_length_a  9.3100000000
_cell_length_b  8.0700000000
_cell_length_c  12.8500000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  93.1333300000
_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 0.5630000000 0.8150000000 0.4160000000  Biso 1.0 Se 4 e
Se2 1.0000000000 0.7540000000 0.7270000000 0.5230000000  Biso 1.0 Se 4 e
Se3 1.0000000000 0.7600000000 0.8980000000 0.6720000000  Biso 1.0 Se 4 e
Se4 1.0000000000 0.9500000000 0.0800000000 0.6480000000  Biso 1.0 Se 4 e
Se5 1.0000000000 0.8430000000 0.3310000000 0.5900000000  Biso 1.0 Se 4 e
Se6 1.0000000000 0.8580000000 0.3400000000 0.4100000000  Biso 1.0 Se 4 e
Se7 1.0000000000 0.6320000000 0.2540000000 0.3400000000  Biso 1.0 Se 4 e
Se8 1.0000000000 0.6660000000 0.9790000000 0.2900000000  Biso 1.0 Se 4 e
