data_Al2TcTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   5.01
_cell_angle_alpha   103.26
_cell_angle_beta   103.26
_cell_angle_gamma   41.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2TcTe
_chemical_formula_sum   'Al2 Tc1 Te1'
_cell_volume   72.73
_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  0.22  0.0  0.91  1.0
  Al  Al1  1  0.39  0.0  0.95  1.0
  Tc  Tc2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.81  0.0  0.43  1.0

data_Al2TcTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   4.73
_cell_length_c   5.01
_cell_angle_alpha   103.26
_cell_angle_beta   90.0
_cell_angle_gamma   110.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2TcTe
_chemical_formula_sum   'Al2 Tc1 Te1'
_cell_volume   72.73
_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  0.61  0.05  1.0
  Al  Al1  1  0.0  0.78  0.09  1.0
  Tc  Tc2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.0  0.19  0.57  1.0

Al Al Tc Te
Al Al Tc Te 0 1 o o o 0 2 o o + 0 3 - o o 1 3 o o + 2 3 - o o 2 3 - o - 