data_SiTcMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.73
_cell_length_b   3.73
_cell_length_c   4.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiTcMo2
_chemical_formula_sum   'Si1 Tc1 Mo2'
_cell_volume   58.93
_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  Si2  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.87  0.87  0.0  1.0
  Mo  Mo0  1  0.87  0.0  0.12  1.0
  Mo  Mo1  1  0.0  0.87  0.12  1.0

data_SiTcMo2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   4.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SiTcMo2
_chemical_formula_sum   'Si2 Tc2 Mo4'
_cell_volume   117.86
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  Si0  2  0.0  0.0  0.0  1.0
  Tc  Tc1  2  0.37  0.5  -0.0  1.0
  Mo  Mo2  4  0.43  0.43  0.12  1.0

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