# 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:  BLa3O9W

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/AB3C9D_hP28_173_a_c_3c_b-001

# Last updated on 2024/08/01

data_B2La6O18W2
_pd_phase_name B2La6O18W2
_cell_length_a  8.8432400000
_cell_length_b  8.8432400000
_cell_length_c  5.5755500000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  120.0000000000
_symmetry_space_group_name_H-M  'P6_{3}'
_symmetry_Int_Tables_Number  173
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+1/2
  5  y,-x+y,z+1/2
  6  x-y,x,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
B1 1.0000000000 0.0000000000 0.0000000000 0.3580000000  Biso 1.0 B 2 a
W6 1.0000000000 0.3333300000 0.6666700000 0.2500000000  Biso 1.0 W 2 b
La2 1.0000000000 0.3636000000 0.0854000000 0.2213000000  Biso 1.0 La 6 c
O3 1.0000000000 0.1700000000 0.0470000000 0.8610000000  Biso 1.0 O 6 c
O4 1.0000000000 0.1920000000 0.4830000000 0.0440000000  Biso 1.0 O 6 c
O5 1.0000000000 0.1420000000 0.5170000000 0.4680000000  Biso 1.0 O 6 c
