data_AlTc3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82
_cell_length_b   2.82
_cell_length_c   8.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTc3
_chemical_formula_sum   'Al1 Tc3'
_cell_volume   58.25
_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  0.0  0.0  1.0
  Tc  Tc1  1  0.0  0.0  0.23  1.0
  Tc  Tc2  1  0.41  0.81  0.13  1.0
  Tc  Tc3  1  0.41  0.81  0.34  1.0

data_AlTc3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.88
_cell_length_b   2.82
_cell_length_c   8.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlTc3
_chemical_formula_sum   'Al2 Tc6'
_cell_volume   116.5
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.0  1.0
  Tc  Tc1  2  0.0  0.0  0.23  1.0
  Tc  Tc2  2  0.41  0.0  0.13  1.0
  Tc  Tc3  2  0.41  0.0  0.34  1.0

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