# 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:  B2Ru3U

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A2B3C_hP48_147_2d2g_4g_abef-001

# Last updated on 2024/08/01

data_B16Ru24U8
_pd_phase_name B16Ru24U8
_cell_length_a  10.9531000000
_cell_length_b  10.9531000000
_cell_length_c  5.9353000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  120.0000000000
_symmetry_space_group_name_H-M  'P-3'
_symmetry_Int_Tables_Number  147
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -y,x-y,z
  3  -x+y,-x,z
  4  -x,-y,-z
  5  y,-x+y,-z
  6  x-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
U9 1.0000000000 0.0000000000 0.0000000000 0.0000000000  Biso 1.0 U 1 a
U10 1.0000000000 0.0000000000 -0.0000000000 0.5000000000  Biso 1.0 U 1 b
B1 1.0000000000 0.3333300000 0.6666700000 0.0120000000  Biso 1.0 B 2 d
B2 1.0000000000 0.3333300000 0.6666700000 0.4880000000  Biso 1.0 B 2 d
U11 1.0000000000 0.5000000000 0.0000000000 0.0000000000  Biso 1.0 U 3 e
U12 1.0000000000 0.5000000000 0.0000000000 0.5000000000  Biso 1.0 U 3 f
B3 1.0000000000 0.1640000000 0.3280000000 0.0060000000  Biso 1.0 B 6 g
B4 1.0000000000 0.1660000000 0.3300000000 0.4950000000  Biso 1.0 B 6 g
Ru5 1.0000000000 0.2457000000 0.4920000000 0.2497000000  Biso 1.0 Ru 6 g
Ru6 1.0000000000 0.7460000000 0.4920000000 0.2504000000  Biso 1.0 Ru 6 g
Ru7 1.0000000000 0.2536000000 0.2459000000 0.2497000000  Biso 1.0 Ru 6 g
Ru8 1.0000000000 0.7551000000 0.7473000000 0.2489000000  Biso 1.0 Ru 6 g
