# AFLOW.org Repositories
# CdI/ICSD_42216.AB  SG=156 - -  hP24 P3m1
data_CdI
_pd_phase_name ICSD_42216.AB
_cell_length_a  4.3210800688
_cell_length_b  4.3210800688
_cell_length_c  59.3135726528
_cell_angle_alpha  90.0012443865
_cell_angle_beta  89.9987556135
_cell_angle_gamma  120.0024930329
_symmetry_space_group_name_H-M  'P1'
_symmetry_Int_Tables_Number  1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
  1  x,y,z
loop_
 _atom_site_label
 _atom_site_occupancy
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_thermal_displace_type
 _atom_site_B_iso_or_equiv
 _atom_site_type_symbol
Cd1 1.0000000000 0.6666662961 0.3333337039 0.0312672779  Biso 1.0 Cd
Cd2 1.0000000000 0.9999991245 0.0000008755 0.1562225825  Biso 1.0 Cd
Cd3 1.0000000000 0.6666664466 0.3333335534 0.2812678406  Biso 1.0 Cd
Cd4 1.0000000000 0.9999992111 0.0000007889 0.4062346117  Biso 1.0 Cd
Cd5 1.0000000000 0.6666664461 0.3333335539 0.5312633033  Biso 1.0 Cd
Cd6 1.0000000000 0.0000007673 0.9999992327 0.6562678383  Biso 1.0 Cd
Cd7 1.0000000000 -0.0000000613 0.0000000613 0.7812864235  Biso 1.0 Cd
Cd8 1.0000000000 0.9999989250 0.0000010750 0.9061901156  Biso 1.0 Cd
I9 1.0000000000 0.0000118213 0.9999881787 0.0021919251  Biso 1.0 I
I10 1.0000000000 0.3333246567 0.6666753433 0.0603463924  Biso 1.0 I
I11 1.0000000000 0.6666684393 0.3333315607 0.1271453659  Biso 1.0 I
I12 1.0000000000 0.3333291011 0.6666708989 0.1852998958  Biso 1.0 I
I13 1.0000000000 0.0000122434 0.9999877566 0.2521921574  Biso 1.0 I
I14 1.0000000000 0.3333248052 0.6666751948 0.3103466723  Biso 1.0 I
I15 1.0000000000 0.6666684607 0.3333315393 0.3771537365  Biso 1.0 I
I16 1.0000000000 0.3333290059 0.6666709941 0.4353082963  Biso 1.0 I
I17 1.0000000000 0.0000117324 0.9999882676 0.5021909427  Biso 1.0 I
I18 1.0000000000 0.3333247080 0.6666752920 0.5603459880  Biso 1.0 I
I19 1.0000000000 0.6666694250 0.3333305750 0.6271844507  Biso 1.0 I
I20 1.0000000000 0.3333310235 0.6666689765 0.6853426010  Biso 1.0 I
I21 1.0000000000 0.6666692036 0.3333307964 0.7522070891  Biso 1.0 I
I22 1.0000000000 0.3333302609 0.6666697391 0.8103622155  Biso 1.0 I
I23 1.0000000000 0.6666689171 0.3333310829 0.8771142492  Biso 1.0 I
I24 1.0000000000 0.3333290407 0.6666709593 0.9352680286  Biso 1.0 I
