# 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:  B12H36MgO12

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A12B36CD12_cF488_210_h_3h_a_fg-001

# Last updated on 2024/08/01
data_B96H288Mg8O96
_pd_phase_name B96H288Mg8O96
_cell_length_a  16.4321000000
_cell_length_b  16.4321000000
_cell_length_c  16.4321000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'F4_{1}32'
_symmetry_Int_Tables_Number  210
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x,-y+1/2,z+1/2
  3  -x+1/2,y+1/2,-z
  4  x+1/2,-y,-z+1/2
  5  z,x,y
  6  z+1/2,-x,-y+1/2
  7  -z,-x+1/2,y+1/2
  8  -z+1/2,x+1/2,-y
  9  y,z,x
  10  -y+1/2,z+1/2,-x
  11  y+1/2,-z,-x+1/2
  12  -y,-z+1/2,x+1/2
  13  y+3/4,x+1/4,-z+3/4
  14  -y+1/4,-x+1/4,-z+1/4
  15  y+1/4,-x+3/4,z+3/4
  16  -y+3/4,x+3/4,z+1/4
  17  x+3/4,z+1/4,-y+3/4
  18  -x+3/4,z+3/4,y+1/4
  19  -x+1/4,-z+1/4,-y+1/4
  20  x+1/4,-z+3/4,y+3/4
  21  z+3/4,y+1/4,-x+3/4
  22  z+1/4,-y+3/4,x+3/4
  23  -z+3/4,y+3/4,x+1/4
  24  -z+1/4,-y+1/4,-x+1/4
  25  x,y+1/2,z+1/2
  26  -x,-y,z
  27  -x+1/2,y,-z+1/2
  28  x+1/2,-y+1/2,-z
  29  z,x+1/2,y+1/2
  30  z+1/2,-x+1/2,-y
  31  -z,-x,y
  32  -z+1/2,x,-y+1/2
  33  y,z+1/2,x+1/2
  34  -y+1/2,z,-x+1/2
  35  y+1/2,-z+1/2,-x
  36  -y,-z,x
  37  y+3/4,x+3/4,-z+1/4
  38  -y+1/4,-x+3/4,-z+3/4
  39  y+1/4,-x+1/4,z+1/4
  40  -y+3/4,x+1/4,z+3/4
  41  x+3/4,z+3/4,-y+1/4
  42  -x+3/4,z+1/4,y+3/4
  43  -x+1/4,-z+3/4,-y+3/4
  44  x+1/4,-z+1/4,y+1/4
  45  z+3/4,y+3/4,-x+1/4
  46  z+1/4,-y+1/4,x+1/4
  47  -z+3/4,y+1/4,x+3/4
  48  -z+1/4,-y+3/4,-x+3/4
  49  x+1/2,y,z+1/2
  50  -x+1/2,-y+1/2,z
  51  -x,y+1/2,-z+1/2
  52  x,-y,-z
  53  z+1/2,x,y+1/2
  54  z,-x,-y
  55  -z+1/2,-x+1/2,y
  56  -z,x+1/2,-y+1/2
  57  y+1/2,z,x+1/2
  58  -y,z+1/2,-x+1/2
  59  y,-z,-x
  60  -y+1/2,-z+1/2,x
  61  y+1/4,x+1/4,-z+1/4
  62  -y+3/4,-x+1/4,-z+3/4
  63  y+3/4,-x+3/4,z+1/4
  64  -y+1/4,x+3/4,z+3/4
  65  x+1/4,z+1/4,-y+1/4
  66  -x+1/4,z+3/4,y+3/4
  67  -x+3/4,-z+1/4,-y+3/4
  68  x+3/4,-z+3/4,y+1/4
  69  z+1/4,y+1/4,-x+1/4
  70  z+3/4,-y+3/4,x+1/4
  71  -z+1/4,y+3/4,x+3/4
  72  -z+3/4,-y+1/4,-x+3/4
  73  x+1/2,y+1/2,z
  74  -x+1/2,-y,z+1/2
  75  -x,y,-z
  76  x,-y+1/2,-z+1/2
  77  z+1/2,x+1/2,y
  78  z,-x+1/2,-y+1/2
  79  -z+1/2,-x,y+1/2
  80  -z,x,-y
  81  y+1/2,z+1/2,x
  82  -y,z,-x
  83  y,-z+1/2,-x+1/2
  84  -y+1/2,-z,x+1/2
  85  y+1/4,x+3/4,-z+3/4
  86  -y+3/4,-x+3/4,-z+1/4
  87  y+3/4,-x+1/4,z+3/4
  88  -y+1/4,x+1/4,z+1/4
  89  x+1/4,z+3/4,-y+3/4
  90  -x+1/4,z+1/4,y+1/4
  91  -x+3/4,-z+3/4,-y+1/4
  92  x+3/4,-z+1/4,y+3/4
  93  z+1/4,y+3/4,-x+3/4
  94  z+3/4,-y+1/4,x+3/4
  95  -z+1/4,y+1/4,x+1/4
  96  -z+3/4,-y+3/4,-x+1/4
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
Mg5 1.0000000000 -0.0000000000 0.0000000000 0.0000000000  Biso 1.0 Mg 8 a
O6 1.0000000000 0.1253600000 0.0000000000 -0.0000000000  Biso 1.0 O 48 f
O7 1.0000000000 0.1250000000 0.5138200000 0.7361800000  Biso 1.0 O 48 g
B1 1.0000000000 0.4115500000 0.5002500000 0.4457700000  Biso 1.0 B 96 h
H2 1.0000000000 0.3557000000 0.4992000000 0.4100000000  Biso 1.0 H 96 h
H3 1.0000000000 0.1708000000 0.5123000000 0.5411000000  Biso 1.0 H 96 h
H4 1.0000000000 0.5888000000 0.5347000000 0.2125000000  Biso 1.0 H 96 h
