# 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:  A2B_aP6_2_2i_i-001 I4P2

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A2B_aP6_2_2i_i-001

# Last updated on 2024/08/01
data_I4P2
_pd_phase_name I4P2
_cell_length_a  4.5600000000
_cell_length_b  7.0600000000
_cell_length_c  7.4000000000
_cell_angle_alpha  80.2000000000
_cell_angle_beta  73.0333300000
_cell_angle_gamma  81.8000000000
_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
I1 1.0000000000 0.5570000000 0.2700000000 0.8350000000  Biso 1.0 I 2 i
I2 1.0000000000 0.8200000000 0.1970000000 0.3050000000  Biso 1.0 I 2 i
P3 1.0000000000 0.3970000000 0.3610000000 0.5370000000  Biso 1.0 P 2 i
