# 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:  O7TaY3

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A7BC3_oC44_20_3a2c_b_bc-001

# Last updated on 2024/08/01

data_O28Ta4Y12
_pd_phase_name O28Ta4Y12
_cell_length_a  10.4762000000
_cell_length_b  7.4237000000
_cell_length_c  7.4522000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'C222_{1}'
_symmetry_Int_Tables_Number  20
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x,-y,z+1/2
  3  -x,y,-z+1/2
  4  x,-y,-z
  5  x+1/2,y+1/2,z
  6  -x+1/2,-y+1/2,z+1/2
  7  -x+1/2,y+1/2,-z+1/2
  8  x+1/2,-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
O1 1.0000000000 0.6300000000 -0.0000000000 0.0000000000  Biso 1.0 O 4 a
O2 1.0000000000 0.3510000000 -0.0000000000 0.0000000000  Biso 1.0 O 4 a
O3 1.0000000000 0.0770000000 0.0000000000 0.0000000000  Biso 1.0 O 4 a
Ta6 1.0000000000 0.0000000000 0.0000000000 0.2500000000  Biso 1.0 Ta 4 b
Y7 1.0000000000 -0.0000000000 0.4940000000 0.2500000000  Biso 1.0 Y 4 b
O4 1.0000000000 0.1430000000 0.1850000000 0.2780000000  Biso 1.0 O 8 c
O5 1.0000000000 0.1080000000 0.7730000000 0.2920000000  Biso 1.0 O 8 c
Y8 1.0000000000 0.2360000000 0.2379000000 0.0000000000  Biso 1.0 Y 8 c
