# 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:  Na2Co2TeO6

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A2B13C6D_hP44_182_bc_a2i_i_d-001

# Last updated on 2024/08/01

data_Co4Na26O12Te2
_pd_phase_name Co4Na26O12Te2
_cell_length_a  5.2889000000
_cell_length_b  5.2889000000
_cell_length_c  11.2149000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  120.0000000000
_symmetry_space_group_name_H-M  'P6_{3}22'
_symmetry_Int_Tables_Number  182
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
  8  x-y,-y,-z
  9  -x,-x+y,-z
  10  -y,-x,-z+1/2
  11  -x+y,y,-z+1/2
  12  x,x-y,-z+1/2
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
Na3 0.1100000000 0.0000000000  0.0000000000 0.0000000000  Biso 1.0 Na 2 a
Co1 1.0000000000 0.0000000000  0.0000000000 0.2500000000  Biso 1.0 Co 2 b
Co2 1.0000000000 0.3333333333  0.6666666667 0.2500000000  Biso 1.0 Co 2 c
Te7 1.0000000000 0.3333333333  0.6666666667 0.7500000000  Biso 1.0 Te 2 d
Na4 0.0810000000 0.2400000000  0.6500000000 0.4740000000  Biso 1.0 Na 12 i
Na5 0.2340000000 0.7020000000  0.0660000000 0.4940000000  Biso 1.0 Na 12 i
O6  1.0000000000 0.6432000000 -0.2520000000 0.8452000000  Biso 1.0 O 12 i
