data_NiMoRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.9
_cell_length_b   5.9
_cell_length_c   5.9
_cell_angle_alpha   153.44
_cell_angle_beta   153.44
_cell_angle_gamma   37.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiMoRu
_chemical_formula_sum   'Ni1 Mo1 Ru1'
_cell_volume   40.95
_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  0.72  1.0
  Mo  Mo0  1  0.0  0.0  0.13  1.0
  Ru  Ru2  1  0.0  0.0  0.47  1.0

data_NiMoRu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.83
_cell_length_b   3.83
_cell_length_c   5.9
_cell_angle_alpha   90.0
_cell_angle_beta   108.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NiMoRu
_chemical_formula_sum   'Ni2 Mo2 Ru2'
_cell_volume   81.9
_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
  Ni  Ni0  2  0.22  0.5  0.72  1.0
  Mo  Mo1  2  0.13  0.0  0.13  1.0
  Ru  Ru2  2  0.47  0.0  0.47  1.0

Ni Mo Ru