data_TaMo2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   5.29
_cell_angle_alpha   144.9
_cell_angle_beta   130.58
_cell_angle_gamma   62.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaMo2Ru
_chemical_formula_sum   'Ta1 Mo2 Ru1'
_cell_volume   63.82
_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  0.0  0.0  0.53  1.0
  Mo  Mo0  1  0.0  0.21  0.22  1.0
  Mo  Mo1  1  0.59  0.0  0.31  1.0
  Ru  Ru2  1  0.0  0.0  0.0  1.0

data_TaMo2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   4.42
_cell_length_c   5.29
_cell_angle_alpha   114.71
_cell_angle_beta   107.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaMo2Ru
_chemical_formula_sum   'Ta1 Mo2 Ru1'
_cell_volume   63.82
_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  0.0  0.53  0.53  1.0
  Mo  Mo1  1  0.0  0.31  0.72  1.0
  Mo  Mo2  1  0.79  0.01  0.01  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

Ta Mo Mo Ru