# 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:  La3BWO9

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/AB3C9D_hP28_143_2a_2d_6d_bc-001

# Last updated on 2024/08/01

data_BLa3O9W
_pd_phase_name BLa3O9W
_cell_length_a  8.8432600000
_cell_length_b  8.8432600000
_cell_length_c  5.5755300000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  120.0000000000
_symmetry_space_group_name_H-M  'P3'
_symmetry_Int_Tables_Number  143
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
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 0.3600000000  Biso 1.0 B  1 a
B2  1.0000000000 0.0000000000 0.0000000000 0.8400000000  Biso 1.0 B  1 a
W11 1.0000000000 0.3333333333 0.6666666667 0.2500000000  Biso 1.0 W  1 b
W12 1.0000000000 0.6666666667 0.3333333333 0.7700000000  Biso 1.0 W  1 c
La3 1.0000000000 0.3630000000 0.0840000000 0.2290000000  Biso 1.0 La 3 d
La4 1.0000000000 0.2780000000 0.3650000000 0.7370000000  Biso 1.0 La 3 d
O10 1.0000000000 0.6170000000 0.1430000000 0.9960000000  Biso 1.0 O  3 d
O5  1.0000000000 0.1720000000 0.0560000000 0.8390000000  Biso 1.0 O  3 d
O6  1.0000000000 0.1380000000 0.1690000000 0.4180000000  Biso 1.0 O  3 d
O7  1.0000000000 0.1810000000 0.4980000000 0.9830000000  Biso 1.0 O  3 d
O8  1.0000000000 0.7280000000 0.1980000000 0.5940000000  Biso 1.0 O  3 d
O9  1.0000000000 0.1340000000 0.5020000000 0.4270000000  Biso 1.0 O  3 d
