# 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:  C17FeH17O4Pt

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A17BC4D_tP184_89_17p_p_4p_il-001

# Last updated on 2024/08/01

data_C136Fe8O32Pt8
_pd_phase_name C136Fe8O32Pt8
_cell_length_a  16.2503000000
_cell_length_b  16.2503000000
_cell_length_c  13.3184000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'P422'
_symmetry_Int_Tables_Number  89
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x,-y,z
  3  -y,x,z
  4  y,-x,z
  5  -x,y,-z
  6  x,-y,-z
  7  y,x,-z
  8  -y,-x,-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
Pt23 1.0000000000 0.0000000000 0.5000000000 0.1322800000  Biso 1.0 Pt 4 i
Pt24 1.0000000000 0.6096200000 0.0000000000 -0.0000000000  Biso 1.0 Pt 4 l
C10 1.0000000000 0.7360000000 0.7870000000 0.8180000000  Biso 1.0 C 8 p
C1 1.0000000000 0.6709000000 0.9850000000 0.7893000000  Biso 1.0 C 8 p
C11 1.0000000000 0.6790000000 0.7650000000 0.7330000000  Biso 1.0 C 8 p
C12 1.0000000000 0.4304000000 0.8435000000 0.9160000000  Biso 1.0 C 8 p
C13 1.0000000000 0.4220000000 0.7512000000 0.9030000000  Biso 1.0 C 8 p
C14 1.0000000000 0.4960000000 0.8780000000 0.5490000000  Biso 1.0 C 8 p
C15 1.0000000000 0.4900000000 0.8090000000 0.5930000000  Biso 1.0 C 8 p
C16 1.0000000000 0.4970000000 0.7380000000 0.5580000000  Biso 1.0 C 8 p
C17 1.0000000000 0.4940000000 0.6650000000 0.6000000000  Biso 1.0 C 8 p
C2 1.0000000000 0.7334000000 0.9627000000 0.7103000000  Biso 1.0 C 8 p
C3 1.0000000000 0.7146000000 0.9383000000 0.6125000000  Biso 1.0 C 8 p
C4 1.0000000000 0.7885000000 0.9160000000 0.5631000000  Biso 1.0 C 8 p
C5 1.0000000000 0.8540000000 0.9242000000 0.6323000000  Biso 1.0 C 8 p
C6 1.0000000000 0.8206000000 0.9579000000 0.7209000000  Biso 1.0 C 8 p
C7 1.0000000000 0.7340000000 0.7260000000 0.6610000000  Biso 1.0 C 8 p
C8 1.0000000000 0.8111000000 0.7275000000 0.6960000000  Biso 1.0 C 8 p
C9 1.0000000000 0.8148000000 0.7616000000 0.7940000000  Biso 1.0 C 8 p
Fe18 1.0000000000 0.7676000000 0.8463000000 0.6943000000  Biso 1.0 Fe 8 p
O19 1.0000000000 0.6965000000 0.9869000000 0.8803000000  Biso 1.0 O 8 p
O20 1.0000000000 0.5960000000 0.9889000000 0.7614000000  Biso 1.0 O 8 p
O21 1.0000000000 0.6143000000 0.8750000000 0.0177000000  Biso 1.0 O 8 p
O22 1.0000000000 0.4854000000 0.8768000000 0.8623000000  Biso 1.0 O 8 p
