data_AlTc3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   4.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTc3
_chemical_formula_sum   'Al2 Tc6'
_cell_volume   116.23
_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  0.91  0.66  0.39  1.0
  Al  Al1  1  0.91  0.34  0.13  1.0
  Tc  Tc2  1  0.91  0.88  0.39  1.0
  Tc  Tc3  1  0.91  0.12  0.13  1.0
  Tc  Tc4  1  0.38  0.82  0.39  1.0
  Tc  Tc5  1  0.44  0.18  0.13  1.0
  Tc  Tc6  1  0.38  0.18  0.13  1.0
  Tc  Tc7  1  0.44  0.82  0.39  1.0

data_AlTc3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.52
_cell_length_b   5.29
_cell_length_c   5.29
_cell_angle_alpha   113.32
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   AlTc3
_chemical_formula_sum   'Al2 Tc6'
_cell_volume   116.23
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.13  0.5  0.66  1.0
  Tc  Tc1  2  0.13  0.03  0.82  1.0
  Tc  Tc2  2  0.13  0.5  0.88  1.0
  Tc  Tc3  2  0.13  0.97  0.82  1.0

Al Al Tc Tc Tc Tc Tc Tc