data_Hf6Ga16Ru7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.74
_cell_length_b   8.74
_cell_length_c   8.74
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf6Ga16Ru7
_chemical_formula_sum   'Hf6 Ga16 Ru7'
_cell_volume   472.06
_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  Hf16  1  0.18  0.83  0.18  1.0
  Hf  Hf17  1  0.83  0.18  0.18  1.0
  Hf  Hf18  1  0.18  0.18  0.83  1.0
  Hf  Hf19  1  0.18  0.53  0.18  1.0
  Hf  Hf20  1  0.18  0.18  0.53  1.0
  Hf  Hf21  1  0.53  0.18  0.18  1.0
  Ga  Ga0  1  0.09  0.09  0.09  1.0
  Ga  Ga1  1  0.66  0.52  0.66  1.0
  Ga  Ga2  1  0.52  0.66  0.66  1.0
  Ga  Ga3  1  0.66  0.66  0.52  1.0
  Ga  Ga4  1  0.09  0.09  0.27  1.0
  Ga  Ga5  1  0.09  0.27  0.09  1.0
  Ga  Ga6  1  0.27  0.09  0.09  1.0
  Ga  Ga7  1  0.84  0.84  0.84  1.0
  Ga  Ga8  1  0.52  0.52  0.52  1.0
  Ga  Ga9  1  0.27  0.09  0.27  1.0
  Ga  Ga10  1  0.09  0.27  0.27  1.0
  Ga  Ga11  1  0.27  0.27  0.09  1.0
  Ga  Ga12  1  0.7  0.7  0.84  1.0
  Ga  Ga13  1  0.84  0.7  0.7  1.0
  Ga  Ga14  1  0.7  0.84  0.7  1.0
  Ga  Ga15  1  0.27  0.27  0.27  1.0
  Ru  Ru22  1  0.0  0.0  0.0  1.0
  Ru  Ru23  1  0.09  0.09  0.18  1.0
  Ru  Ru24  1  0.09  0.18  0.09  1.0
  Ru  Ru25  1  0.18  0.09  0.09  1.0
  Ru  Ru26  1  0.09  0.09  0.0  1.0
  Ru  Ru27  1  0.0  0.09  0.09  1.0
  Ru  Ru28  1  0.09  0.0  0.09  1.0

data_Hf6Ga16Ru7
_symmetry_space_group_name_H-M   R3m
_cell_length_a   8.74
_cell_length_b   8.74
_cell_length_c   21.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Hf6Ga16Ru7
_chemical_formula_sum   'Hf18 Ga48 Ru21'
_cell_volume   1416.17
_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  0.55  0.37  1.0
  Hf  Hf1  9  0.22  0.43  0.6  1.0
  Ga  Ga2  9  0.05  0.09  0.25  1.0
  Ga  Ga3  9  0.06  0.12  0.85  1.0
  Ga  Ga4  9  0.09  0.05  0.39  1.0
  Ga  Ga5  9  0.12  0.06  0.79  1.0
  Ga  Ga6  3  0.0  0.0  0.16  1.0
  Ga  Ga7  3  0.0  0.0  0.48  1.0
  Ga  Ga8  3  0.0  0.0  0.73  1.0
  Ga  Ga9  3  0.0  0.0  0.91  1.0
  Ru  Ru10  9  0.03  0.06  0.88  1.0
  Ru  Ru11  9  0.06  0.03  0.94  1.0
  Ru  Ru12  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 Ru Ru Ru Ru Ru Ru Ru