data_Hf6Ga16Pd7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.81
_cell_length_b   8.81
_cell_length_c   8.81
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf6Ga16Pd7
_chemical_formula_sum   'Hf6 Ga16 Pd7'
_cell_volume   483.8
_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
  Hf  Hf0  1  0.23  0.23  0.54  1.0
  Hf  Hf1  1  0.23  0.92  0.23  1.0
  Hf  Hf2  1  0.92  0.23  0.23  1.0
  Hf  Hf3  1  0.23  0.23  0.92  1.0
  Hf  Hf4  1  0.23  0.54  0.23  1.0
  Hf  Hf5  1  0.54  0.23  0.23  1.0
  Ga  Ga6  1  0.75  0.75  0.94  1.0
  Ga  Ga7  1  0.75  0.94  0.75  1.0
  Ga  Ga8  1  0.94  0.75  0.75  1.0
  Ga  Ga9  1  0.94  0.94  0.94  1.0
  Ga  Ga10  1  0.71  0.71  0.52  1.0
  Ga  Ga11  1  0.71  0.52  0.71  1.0
  Ga  Ga12  1  0.52  0.71  0.71  1.0
  Ga  Ga13  1  0.52  0.52  0.52  1.0
  Ga  Ga14  1  0.24  0.24  0.22  1.0
  Ga  Ga15  1  0.24  0.22  0.24  1.0
  Ga  Ga16  1  0.22  0.24  0.24  1.0
  Ga  Ga17  1  0.22  0.22  0.22  1.0
  Ga  Ga18  1  0.22  0.22  0.24  1.0
  Ga  Ga19  1  0.22  0.24  0.22  1.0
  Ga  Ga20  1  0.24  0.22  0.22  1.0
  Ga  Ga21  1  0.24  0.24  0.24  1.0
  Pd  Pd22  1  0.0  0.0  0.0  1.0
  Pd  Pd23  1  0.12  0.12  0.0  1.0
  Pd  Pd24  1  0.12  0.23  0.12  1.0
  Pd  Pd25  1  0.23  0.12  0.12  1.0
  Pd  Pd26  1  0.12  0.12  0.23  1.0
  Pd  Pd27  1  0.12  0.0  0.12  1.0
  Pd  Pd28  1  0.0  0.12  0.12  1.0

data_Hf6Ga16Pd7
_symmetry_space_group_name_H-M   R3m
_cell_length_a   8.81
_cell_length_b   8.81
_cell_length_c   21.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Hf6Ga16Pd7
_chemical_formula_sum   'Hf18 Ga48 Pd21'
_cell_volume   1451.41
_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
  Hf  Hf0  9  0.1  0.21  0.67  1.0
  Hf  Hf1  9  0.21  0.1  0.87  1.0
  Ga  Ga2  9  0.01  0.02  0.77  1.0
  Ga  Ga3  9  0.02  0.01  0.76  1.0
  Ga  Ga4  9  0.07  0.13  0.19  1.0
  Ga  Ga5  9  0.13  0.07  0.35  1.0
  Ga  Ga6  3  0.0  0.0  0.06  1.0
  Ga  Ga7  3  0.0  0.0  0.48  1.0
  Ga  Ga8  3  0.0  0.0  0.76  1.0
  Ga  Ga9  3  0.0  0.0  0.78  1.0
  Pd  Pd10  9  0.04  0.08  0.85  1.0
  Pd  Pd11  9  0.08  0.04  0.92  1.0
  Pd  Pd12  3  0.0  0.0  0.0  1.0

Hf Hf Hf Hf Hf Hf Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga Pd Pd Pd Pd Pd Pd Pd