data_TcB2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.21
_cell_length_b   4.21
_cell_length_c   4.21
_cell_angle_alpha   137.45
_cell_angle_beta   111.37
_cell_angle_gamma   84.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcB2Mo
_chemical_formula_sum   'Tc1 B2 Mo1'
_cell_volume   45.22
_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  Tc3  1  0.0  0.0  0.12  1.0
  B  B0  1  0.53  0.0  0.59  1.0
  B  B1  1  0.0  0.37  0.54  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0

data_TcB2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   4.21
_cell_length_c   4.21
_cell_angle_alpha   68.63
_cell_angle_beta   68.73
_cell_angle_gamma   68.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcB2Mo
_chemical_formula_sum   'Tc1 B2 Mo1'
_cell_volume   45.22
_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  0.12  0.0  0.88  1.0
  B  B1  1  0.06  0.53  0.41  1.0
  B  B2  1  0.54  -0.0  0.84  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

Tc B B Mo