data_TaMo2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.78
_cell_length_b   2.78
_cell_length_c   8.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaMo2Ru
_chemical_formula_sum   'Ta1 Mo2 Ru1'
_cell_volume   63.88
_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
  Ta  Ta3  1  0.59  0.0  0.25  1.0
  Mo  Mo0  1  0.0  0.0  0.77  1.0
  Mo  Mo1  1  0.59  0.0  0.58  1.0
  Ru  Ru2  1  0.0  0.0  0.43  1.0

data_TaMo2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   2.78
_cell_length_c   8.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaMo2Ru
_chemical_formula_sum   'Ta1 Mo2 Ru1'
_cell_volume   63.88
_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
  Ta  Ta0  1  0.59  0.0  0.25  1.0
  Mo  Mo1  1  0.0  0.0  0.77  1.0
  Mo  Mo2  1  0.59  0.0  0.58  1.0
  Ru  Ru3  1  0.0  0.0  0.43  1.0

Ta Mo Mo Ru
Ta Mo Mo Ru 0 3 o o o 0 3 + o o 1 2 - o o 1 2 o o o 2 3 o o o 2 3 + o o 