data_HfRh3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.59
_cell_length_b   5.59
_cell_length_c   13.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfRh3
_chemical_formula_sum   'Hf6 Rh18'
_cell_volume   369.23
_cell_formula_units_Z   6
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  0.0  0.0  0.22  1.0
  Hf  Hf1  1  0.0  0.0  0.41  1.0
  Hf  Hf2  1  0.0  0.23  0.19  1.0
  Hf  Hf3  1  0.0  0.23  0.62  1.0
  Hf  Hf4  1  0.8  0.61  0.44  1.0
  Hf  Hf5  1  0.8  0.61  0.0  1.0
  Rh  Rh6  1  0.64  0.44  0.22  1.0
  Rh  Rh7  1  0.16  0.4  0.41  1.0
  Rh  Rh8  1  0.0  0.61  0.5  1.0
  Rh  Rh9  1  0.0  0.61  0.94  1.0
  Rh  Rh10  1  0.6  0.04  0.5  1.0
  Rh  Rh11  1  0.6  0.04  0.94  1.0
  Rh  Rh12  1  0.4  0.81  0.12  1.0
  Rh  Rh13  1  0.4  0.81  0.69  1.0
  Rh  Rh14  1  0.0  0.8  0.22  1.0
  Rh  Rh15  1  0.8  0.04  0.41  1.0
  Rh  Rh16  1  0.36  0.44  0.22  1.0
  Rh  Rh17  1  0.44  0.4  0.41  1.0
  Rh  Rh18  1  0.4  0.04  0.5  1.0
  Rh  Rh19  1  0.4  0.04  0.94  1.0
  Rh  Rh20  1  0.2  0.81  0.12  1.0
  Rh  Rh21  1  0.2  0.81  0.69  1.0
  Rh  Rh22  1  0.8  0.23  0.12  1.0
  Rh  Rh23  1  0.8  0.23  0.69  1.0

data_HfRh3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.59
_cell_length_b   5.59
_cell_length_c   13.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfRh3
_chemical_formula_sum   'Hf6 Rh18'
_cell_volume   369.23
_cell_formula_units_Z   6
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  -0.0  0.23  0.19  1.0
  Hf  Hf1  1  -0.0  0.23  0.62  1.0
  Hf  Hf2  1  0.0  0.0  0.22  1.0
  Hf  Hf3  1  0.0  0.0  0.41  1.0
  Hf  Hf4  1  0.8  0.61  0.0  1.0
  Hf  Hf5  1  0.8  0.61  0.44  1.0
  Rh  Rh6  1  -0.0  0.8  0.22  1.0
  Rh  Rh7  1  -0.0  0.61  0.5  1.0
  Rh  Rh8  1  -0.0  0.61  0.94  1.0
  Rh  Rh9  1  0.16  0.4  0.41  1.0
  Rh  Rh10  1  0.2  0.81  0.12  1.0
  Rh  Rh11  1  0.2  0.81  0.69  1.0
  Rh  Rh12  1  0.36  0.44  0.22  1.0
  Rh  Rh13  1  0.4  0.81  0.12  1.0
  Rh  Rh14  1  0.4  0.81  0.69  1.0
  Rh  Rh15  1  0.4  0.04  0.5  1.0
  Rh  Rh16  1  0.4  0.04  0.94  1.0
  Rh  Rh17  1  0.44  0.4  0.41  1.0
  Rh  Rh18  1  0.6  0.04  0.5  1.0
  Rh  Rh19  1  0.6  0.04  0.94  1.0
  Rh  Rh20  1  0.64  0.44  0.22  1.0
  Rh  Rh21  1  0.8  0.04  0.41  1.0
  Rh  Rh22  1  0.8  0.23  0.12  1.0
  Rh  Rh23  1  0.8  0.23  0.69  1.0

Hf Hf Hf Hf Hf Hf Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh
Hf Hf Hf Hf Hf Hf Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh 0 14 o - o 0 2 o o o 1 15 - o o 2 22 - o o 2 16 o o o 3 23 - o o 4 8 + o o 4 17 o o o 5 9 + o - 6 16 o o o 7 17 o o o 10 18 o o o 11 19 o o o 12 20 o o o 13 21 o o o 