data_HfMoRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.84
_cell_length_b   6.64
_cell_length_c   2.89
_cell_angle_alpha   81.55
_cell_angle_beta   73.78
_cell_angle_gamma   24.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMoRu
_chemical_formula_sum   'Hf1 Mo1 Ru1'
_cell_volume   50.72
_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  0.68  0.35  0.79  1.0
  Mo  Mo1  1  0.68  0.35  0.67  1.0
  Ru  Ru2  1  0.68  0.35  0.25  1.0

data_HfMoRu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.36
_cell_length_b   12.86
_cell_length_c   2.89
_cell_angle_alpha   90.0
_cell_angle_beta   125.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfMoRu
_chemical_formula_sum   'Hf2 Mo2 Ru2'
_cell_volume   101.44
_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  0.18  0.5  0.47  1.0
  Mo  Mo1  2  0.18  0.5  0.35  1.0
  Ru  Ru2  2  0.18  0.5  0.93  1.0

Hf Mo Ru