data_HfMnRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.98
_cell_length_b   2.98
_cell_length_c   6.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMnRu
_chemical_formula_sum   'Hf1 Mn1 Ru1'
_cell_volume   47.16
_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  0.49  0.86  0.05  1.0
  Mn  Mn1  1  0.0  0.0  0.12  1.0
  Ru  Ru2  1  0.0  0.72  0.96  1.0

data_HfMnRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   2.98
_cell_length_c   6.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMnRu
_chemical_formula_sum   'Hf1 Mn1 Ru1'
_cell_volume   47.16
_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  0.49  0.86  0.05  1.0
  Mn  Mn1  1  0.0  0.0  0.12  1.0
  Ru  Ru2  1  0.0  0.72  0.96  1.0

Hf Mn Ru
Hf Mn Ru 0 2 o o - 0 1 + + o 1 2 o - - 