data_TiMoRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   145.61
_cell_angle_beta   130.31
_cell_angle_gamma   61.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiMoRu2
_chemical_formula_sum   'Ti1 Mo1 Ru2'
_cell_volume   59.99
_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
  Ti  Ti3  1  0.0  0.0  0.47  1.0
  Mo  Mo0  1  0.0  0.19  0.2  1.0
  Ru  Ru1  1  0.0  0.0  0.84  1.0
  Ru  Ru2  1  0.54  0.0  0.34  1.0

data_TiMoRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   4.37
_cell_length_c   5.2
_cell_angle_alpha   114.84
_cell_angle_beta   107.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiMoRu2
_chemical_formula_sum   'Ti1 Mo1 Ru2'
_cell_volume   59.99
_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
  Ti  Ti0  1  0.53  0.53  0.53  1.0
  Mo  Mo1  1  0.8  0.99  0.99  1.0
  Ru  Ru2  1  0.16  0.16  0.16  1.0
  Ru  Ru3  1  0.19  0.66  0.19  1.0

Ti Mo Ru Ru