data_TcMoRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   4.8
_cell_angle_alpha   146.83
_cell_angle_beta   132.17
_cell_angle_gamma   59.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcMoRu
_chemical_formula_sum   'Tc1 Mo1 Ru1'
_cell_volume   44.56
_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
  Tc  Tc2  1  0.0  0.0  0.74  1.0
  Mo  Mo0  1  0.0  0.0  0.01  1.0
  Ru  Ru1  1  0.0  0.0  0.59  1.0

data_TcMoRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   3.89
_cell_length_c   4.8
_cell_angle_alpha   113.91
_cell_angle_beta   106.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcMoRu
_chemical_formula_sum   'Tc1 Mo1 Ru1'
_cell_volume   44.56
_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
  Tc  Tc0  1  0.0  0.74  0.74  1.0
  Mo  Mo1  1  0.0  0.01  0.01  1.0
  Ru  Ru2  1  0.0  0.59  0.59  1.0

Tc Mo Ru
Tc Mo Ru 0 2 o o o 0 1 o o + 