# 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:  TaTi3

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/AB3_mC32_8_4a_4a4b-001

# Last updated on 2024/08/01

data_Ta8Ti24
_pd_phase_name Ta8Ti24
_cell_length_a  9.2519726786
_cell_length_b  9.2519726786
_cell_length_c  6.5421326204
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'Cm'
_symmetry_Int_Tables_Number  8
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  x,-y,z
  3  x+1/2,y+1/2,z
  4  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
Ta1 1.0000000000 0.0000000000 0.0000000000 0.0000000000  Biso 1.0 Ta 2 a
Ta2 1.0000000000 0.0000000000 0.0000000000 0.5000000000  Biso 1.0 Ta 2 a
Ta3 1.0000000000 0.7500000000 0.0000000000 0.7500000000  Biso 1.0 Ta 2 a
Ta4 1.0000000000 0.5000000000 0.0000000000 0.5000000000  Biso 1.0 Ta 2 a
Ti5 1.0000000000 0.7500000000 0.0000000000 0.2500000000  Biso 1.0 Ti 2 a
Ti6 1.0000000000 0.5000000000 0.0000000000 -0.0000000000  Biso 1.0 Ti 2 a
Ti7 1.0000000000 0.2500000000 0.0000000000 0.2500000000  Biso 1.0 Ti 2 a
Ti8 1.0000000000 0.2500000000 0.0000000000 0.7500000000  Biso 1.0 Ti 2 a
Ti10 1.0000000000 0.7500000000 0.7500000000 0.5000000000  Biso 1.0 Ti 4 b
Ti11 1.0000000000 0.5000000000 0.7500000000 0.2500000000  Biso 1.0 Ti 4 b
Ti12 1.0000000000 0.5000000000 0.7500000000 0.7500000000  Biso 1.0 Ti 4 b
Ti9 1.0000000000 0.7500000000 0.7500000000 -0.0000000000  Biso 1.0 Ti 4 b
