data_Tc2BMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.05
_cell_length_b   3.92
_cell_length_c   4.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2BMo
_chemical_formula_sum   'Tc2 B1 Mo1'
_cell_volume   52.96
_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  0.52  0.96  0.0  1.0
  Tc  Tc3  1  0.0  0.96  0.21  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.52  0.0  0.21  1.0

data_Tc2BMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   3.92
_cell_length_c   4.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2BMo
_chemical_formula_sum   'Tc2 B1 Mo1'
_cell_volume   52.96
_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  0.96  0.21  1.0
  Tc  Tc1  1  0.52  0.96  0.0  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  Mo  Mo3  1  0.52  0.0  0.21  1.0

Tc Tc B Mo
Tc Tc B Mo 0 3 o + o 1 2 o + o 