data_Al2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.18
_cell_length_b   5.94
_cell_length_c   2.37
_cell_angle_alpha   84.67
_cell_angle_beta   72.88
_cell_angle_gamma   22.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2Tc
_chemical_formula_sum   'Al2 Tc1'
_cell_volume   27.65
_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
  Al  Al0  1  0.14  0.08  0.87  1.0
  Al  Al1  1  0.14  0.08  0.78  1.0
  Tc  Tc2  1  0.0  0.0  0.0  1.0

data_Al2Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.29
_cell_length_b   2.37
_cell_length_c   5.94
_cell_angle_alpha   84.67
_cell_angle_beta   78.9
_cell_angle_gamma   61.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2Tc
_chemical_formula_sum   'Al2 Tc1'
_cell_volume   27.65
_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
  Al  Al0  1  0.0  0.07  0.78  1.0
  Al  Al1  1  0.09  0.99  0.78  1.0
  Tc  Tc2  1  0.0  0.0  0.0  1.0

Al Al Tc
Al Al Tc 0 1 o o o 0 2 o o + 1 2 o o + 