# 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:  TaTi

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/AB_aP16_2_4i_4i-001

# Last updated on 2024/08/01

data_Ta8Ti8
_pd_phase_name Ta8Ti8
_cell_length_a  5.4244498076
_cell_length_b  5.6656530442
_cell_length_c  9.6759446334
_cell_angle_alpha  72.9761338150
_cell_angle_beta  87.0786711125
_cell_angle_gamma  79.9750121379
_symmetry_space_group_name_H-M  'P-1'
_symmetry_Int_Tables_Number  2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x,-y,-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
Ta1 1.0000000000 0.3750000000 0.7500000000 0.3750000000  Biso 1.0 Ta 2 i
Ta2 1.0000000000 0.8750000000 -0.0000000000 0.3750000000  Biso 1.0 Ta 2 i
Ta3 1.0000000000 0.3750000000 0.5000000000 0.8750000000  Biso 1.0 Ta 2 i
Ta4 1.0000000000 0.6250000000 0.7500000000 0.6250000000  Biso 1.0 Ta 2 i
Ti5 1.0000000000 0.8750000000 0.5000000000 0.3750000000  Biso 1.0 Ti 2 i
Ti6 1.0000000000 0.1250000000 0.7500000000 0.1250000000  Biso 1.0 Ti 2 i
Ti7 1.0000000000 0.8750000000 0.7500000000 0.8750000000  Biso 1.0 Ti 2 i
Ti8 1.0000000000 0.3750000000 0.0000000000 0.8750000000  Biso 1.0 Ti 2 i
