data_AlTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.43
_cell_length_b   4.43
_cell_length_c   4.43
_cell_angle_alpha   123.81
_cell_angle_beta   123.81
_cell_angle_gamma   83.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTc
_chemical_formula_sum   'Al2 Tc2'
_cell_volume   57.56
_cell_formula_units_Z   2
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  0.09  0.65  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.09  0.0  0.65  1.0
  Tc  Tc3  1  0.0  0.0  0.31  1.0

data_AlTc
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.17
_cell_length_b   4.17
_cell_length_c   4.43
_cell_angle_alpha   118.09
_cell_angle_beta   118.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTc
_chemical_formula_sum   'Al2 Tc2'
_cell_volume   57.56
_cell_formula_units_Z   2
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  0.0  0.0  1.0
  Al  Al1  1  0.43  0.09  0.43  1.0
  Tc  Tc2  1  0.35  0.0  0.43  1.0
  Tc  Tc3  1  0.69  0.0  0.69  1.0

Al Al Tc Tc
Al Al Tc Tc 0 2 o o o 0 3 o o o 1 3 o o o 2 3 o o o 