# 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:  LaTa7O19

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/AB19C7_hP54_188_a_ghk2l_cl-001 

# Last updated on 2025/06/09

data_LaTa7O19
_pd_phase_name LaTa7O19
_cell_length_a  6.2300000000
_cell_length_b  6.2300000000
_cell_length_c  19.9900000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  120.0000000000
_symmetry_space_group_name_H-M  'P-6c2'
_symmetry_Int_Tables_Number  188
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
  7  -y,-x,z+1/2
  8  -x+y,y,z+1/2
  9  x,x-y,z+1/2
  10  -y,-x,-z
  11  -x+y,y,-z
  12  x,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
La1 1.0000000000 0.0000000000 0.0000000000 0.0000000000  Biso 1.0 La  2 a
Ta2 1.0000000000 0.3333333333 0.6666666667 0.0000000000  Biso 1.0 Ta  2 c
O3  1.0000000000 0.0000000000 0.0000000000 0.1270000000  Biso 1.0 O   4 g
O4  1.0000000000 0.3333333333 0.6666666667 0.1640000000  Biso 1.0 O   4 h
O5  1.0000000000 0.7076666667 0.7443333333 0.2500000000  Biso 1.0 O   6 k
O6  1.0000000000 0.6566666667 0.0833333333 0.1560000000  Biso 1.0 O  12 l
O7  1.0000000000 0.6106666667 0.7003333333 0.0610000000  Biso 1.0 O  12 l
Ta8 1.0000000000 0.6646666667 0.6923333333 0.1563000000  Biso 1.0 Ta 12 l
