data_NiMoRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   4.71
_cell_angle_alpha   133.08
_cell_angle_beta   133.08
_cell_angle_gamma   68.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiMoRu2
_chemical_formula_sum   'Ni1 Mo1 Ru2'
_cell_volume   54.76
_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
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Mo  Mo0  1  0.88  0.0  0.95  1.0
  Ru  Ru2  1  0.0  0.88  0.95  1.0
  Ru  Ru3  1  0.0  0.0  0.89  1.0

data_NiMoRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.75
_cell_length_b   3.75
_cell_length_c   4.71
_cell_angle_alpha   113.46
_cell_angle_beta   113.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiMoRu2
_chemical_formula_sum   'Ni1 Mo1 Ru2'
_cell_volume   54.76
_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
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.05  0.0  0.93  1.0
  Ru  Ru2  1  0.11  0.0  0.11  1.0
  Ru  Ru3  1  0.93  0.88  0.93  1.0

Ni Mo Ru Ru