data_Hf_P-43m_post-elim
_audit_creation_method         'generated by CrystalMaker 9.1.1'
_cell_length_a                  20.6521(0)
_cell_length_b                  20.6521(0)
_cell_length_c                  20.6521(0)
_cell_angle_alpha               90.0000(0)
_cell_angle_beta                90.0000(0)
_cell_angle_gamma               90.0000(0)

_symmetry_space_group_name_H-M     'P -4 3 m'
_symmetry_Int_Tables_number         215
_symmetry_cell_setting             cubic
loop_
_symmetry_equiv_pos_as_xyz
'+x,+y,+z'
'+z,+x,+y'
'+y,+z,+x'
'-y,+x,-z'
'-x,+z,-y'
'-z,+y,-x'
'+x,-y,-z'
'+z,-x,-y'
'+y,-z,-x'
'-y,-x,+z'
'-x,-z,+y'
'-z,-y,+x'
'-x,+y,-z'
'-z,+x,-y'
'-y,+z,-x'
'+y,+x,+z'
'+x,+z,+y'
'+z,+y,+x'
'-x,-y,+z'
'-z,-x,+y'
'-y,-z,+x'
'+y,-x,-z'
'+x,-z,-y'
'+z,-y,-x'

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
 C1    C  1.0000     -0.3549   -0.0000   -0.1563
 C2    C  1.0000      0.2087   -0.3046    0.0000
 C3    C  1.0000     -0.2389    0.0002   -0.1914
 C4    C  1.0000      0.2743   -0.0002    0.3220
 H1    H  1.0000      0.3729   -0.2873    0.0003
 H2    H  1.0000      0.1405   -0.2261   -0.0003
 Hf1   Hf 1.0000     -0.3841    0.0000    0.0000
 Hf2   Hf 1.0000      0.1121    0.0000    0.5000
 O1    O  1.0000      0.0612    0.0612   -0.4417
 O2    O  1.0000      0.0613   -0.0613   -0.4417
 O3    O  1.0000      0.1746   -0.0000    0.4148
 O4    O  1.0000     -0.3347    0.0000   -0.0986


