# 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:  Pu

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A_mP16_11_8e-001

# Last updated on 2024/08/01
data_Pu16
_pd_phase_name Pu16
_cell_length_a  6.1830000000
_cell_length_b  4.8220000000
_cell_length_c  10.9630000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  101.7900000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'P2_{1}/m'
_symmetry_Int_Tables_Number  11
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x,y+1/2,-z
  3  -x,-y,-z
  4  x,-y+1/2,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
Pu1 1.0000000000 0.6550000000 0.2500000000 0.8380000000  Biso 1.0 Pu 2 e
Pu2 1.0000000000 0.2330000000 0.2500000000 0.8320000000  Biso 1.0 Pu 2 e
Pu3 1.0000000000 0.8720000000 0.2500000000 0.6600000000  Biso 1.0 Pu 2 e
Pu4 1.0000000000 0.3430000000 0.2500000000 0.5430000000  Biso 1.0 Pu 2 e
Pu5 1.0000000000 0.9750000000 0.2500000000 0.3820000000  Biso 1.0 Pu 2 e
Pu6 1.0000000000 0.5270000000 0.2500000000 0.3470000000  Biso 1.0 Pu 2 e
Pu7 1.0000000000 0.6720000000 0.2500000000 0.0740000000  Biso 1.0 Pu 2 e
Pu8 1.0000000000 0.1310000000 0.2500000000 0.1060000000  Biso 1.0 Pu 2 e
