data_Hf4(Ru4C)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.08
_cell_length_b   4.08
_cell_length_c   15.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf4(Ru4C)3
_chemical_formula_sum   'Hf4 Ru12 C3'
_cell_volume   266.26
_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  0.04  0.04  0.11  1.0
  Hf  Hf1  1  0.04  0.04  0.87  1.0
  Hf  Hf2  1  0.04  0.04  0.95  1.0
  Hf  Hf3  1  0.04  0.04  0.03  1.0
  Ru  Ru4  1  0.0  0.0  0.14  1.0
  Ru  Ru5  1  0.0  0.0  0.84  1.0
  Ru  Ru6  1  0.0  0.0  0.95  1.0
  Ru  Ru7  1  0.0  0.0  0.03  1.0
  Ru  Ru8  1  0.0  0.04  0.99  1.0
  Ru  Ru9  1  0.0  0.04  0.97  1.0
  Ru  Ru10  1  0.0  0.04  0.0  1.0
  Ru  Ru11  1  0.0  0.04  0.01  1.0
  Ru  Ru12  1  0.04  0.0  0.99  1.0
  Ru  Ru13  1  0.04  0.0  0.97  1.0
  Ru  Ru14  1  0.04  0.0  0.0  1.0
  Ru  Ru15  1  0.04  0.0  0.01  1.0
  C  C16  1  0.0  0.0  0.81  1.0
  C  C17  1  0.0  0.0  0.0  1.0
  C  C18  1  0.0  0.0  0.17  1.0

data_Hf4(Ru4C)3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.77
_cell_length_b   5.77
_cell_length_c   15.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hf4(Ru4C)3
_chemical_formula_sum   'Hf8 Ru24 C6'
_cell_volume   532.51
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.04  0.0  0.03  1.0
  Hf  Hf1  2  0.04  0.0  0.11  1.0
  Hf  Hf2  2  0.04  0.0  0.87  1.0
  Hf  Hf3  2  0.04  0.0  0.95  1.0
  Ru  Ru4  4  0.02  0.02  -0.0  1.0
  Ru  Ru5  4  0.02  0.02  0.01  1.0
  Ru  Ru6  4  0.02  0.02  0.97  1.0
  Ru  Ru7  4  0.02  0.02  0.99  1.0
  Ru  Ru8  2  0.0  0.0  0.03  1.0
  Ru  Ru9  2  0.0  0.0  0.14  1.0
  Ru  Ru10  2  0.0  0.0  0.84  1.0
  Ru  Ru11  2  0.0  0.0  0.95  1.0
  C  C12  2  0.0  0.0  0.0  1.0
  C  C13  2  0.0  0.0  0.17  1.0
  C  C14  2  0.0  0.0  0.81  1.0

Hf Hf Hf Hf Ru Ru Ru Ru Ru Ru Ru Ru Ru Ru Ru Ru C C C