data_SiTc2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.85
_cell_length_b   4.04
_cell_length_c   5.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiTc2Mo
_chemical_formula_sum   'Si1 Tc2 Mo1'
_cell_volume   58.08
_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
  Si  Si1  1  0.0  0.0  0.81  1.0
  Tc  Tc2  1  0.43  0.02  0.96  1.0
  Tc  Tc3  1  0.0  0.0  0.28  1.0
  Mo  Mo0  1  0.43  0.02  0.56  1.0

data_SiTc2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   4.04
_cell_length_c   5.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiTc2Mo
_chemical_formula_sum   'Si1 Tc2 Mo1'
_cell_volume   58.08
_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  0.0  0.28  1.0
  Si  Si1  1  0.0  0.0  0.81  1.0
  Tc  Tc2  1  0.43  0.02  0.96  1.0
  Mo  Mo3  1  0.43  0.02  0.56  1.0

Si Tc Tc Mo
Si Tc Tc Mo 0 1 o o o 0 2 o o + 0 3 o o o 0 3 - o o 1 2 + o + 1 2 o o + 1 3 o o o 2 3 - o o 2 3 o o o 