data_Al2SiTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   4.42
_cell_angle_alpha   96.1
_cell_angle_beta   96.1
_cell_angle_gamma   34.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2SiTc
_chemical_formula_sum   'Al2 Si1 Tc1'
_cell_volume   58.05
_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  0.86  0.0  0.27  1.0
  Al  Al1  1  0.86  0.0  0.13  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.36  0.0  0.2  1.0

data_Al2SiTc
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   4.42
_cell_length_c   4.82
_cell_angle_alpha   96.1
_cell_angle_beta   107.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2SiTc
_chemical_formula_sum   'Al2 Si1 Tc1'
_cell_volume   58.05
_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  0.13  0.86  1.0
  Al  Al1  1  0.0  0.27  0.86  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.0  0.2  0.36  1.0

Al Al Si Tc