data_CrH12(CF)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.09
_cell_length_b   7.09
_cell_length_c   7.09
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrH12(CF)8
_chemical_formula_sum   'Cr1 H12 C8 F8'
_cell_volume   251.49
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  H  H1  1  0.0  0.32  0.32  1.0
  H  H2  1  0.0  0.69  0.69  1.0
  H  H3  1  0.01  0.69  0.32  1.0
  H  H4  1  0.01  0.32  0.69  1.0
  H  H5  1  0.32  0.0  0.32  1.0
  H  H6  1  0.32  0.01  0.69  1.0
  H  H7  1  0.69  0.0  0.69  1.0
  H  H8  1  0.69  0.01  0.32  1.0
  H  H9  1  0.32  0.32  0.0  1.0
  H  H10  1  0.69  0.69  0.0  1.0
  H  H11  1  0.32  0.69  0.01  1.0
  H  H12  1  0.69  0.32  0.01  1.0
  C  C13  1  0.5  0.5  0.5  1.0
  C  C14  1  0.51  0.51  0.51  1.0
  C  C15  1  0.99  0.01  0.01  1.0
  C  C16  1  0.03  0.01  0.01  1.0
  C  C17  1  0.01  0.99  0.01  1.0
  C  C18  1  0.01  0.03  0.01  1.0
  C  C19  1  0.01  0.01  0.99  1.0
  C  C20  1  0.01  0.01  0.03  1.0
  F  F21  1  0.28  0.28  0.28  1.0
  F  F22  1  0.74  0.74  0.74  1.0
  F  F23  1  0.73  0.73  0.28  1.0
  F  F24  1  0.73  0.28  0.73  1.0
  F  F25  1  0.29  0.29  0.74  1.0
  F  F26  1  0.29  0.74  0.29  1.0
  F  F27  1  0.28  0.73  0.73  1.0
  F  F28  1  0.74  0.29  0.29  1.0

data_CrH12(CF)8
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.09
_cell_length_b   7.09
_cell_length_c   17.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CrH12(CF)8
_chemical_formula_sum   'Cr3 H36 C24 F24'
_cell_volume   754.46
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Cr  Cr0  3  0.0  0.0  0.0  1.0
  H  H1  18  0.02  0.35  0.66  1.0
  H  H2  9  0.1  0.21  0.21  1.0
  H  H3  9  0.21  0.11  0.79  1.0
  C  C4  9  0.01  0.01  0.98  1.0
  C  C5  9  0.01  0.01  1.0  1.0
  C  C6  3  0.0  0.0  0.49  1.0
  C  C7  3  0.0  0.0  0.5  1.0
  F  F8  9  0.03  0.52  0.23  1.0
  F  F9  9  0.18  0.37  0.09  1.0
  F  F10  3  0.0  0.0  0.26  1.0
  F  F11  3  0.0  0.0  0.72  1.0

Cr H H H H H H H H H H H H C C C C C C C C F F F F F F F F