data_AlTc2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   5.05
_cell_angle_alpha   134.48
_cell_angle_beta   134.48
_cell_angle_gamma   66.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTc2Sb
_chemical_formula_sum   'Al1 Tc2 Sb1'
_cell_volume   64.46
_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  Tc2  1  0.0  0.0  0.23  1.0
  Tc  Tc3  1  0.0  0.95  0.11  1.0
  Sb  Sb1  1  0.95  0.0  0.11  1.0

data_AlTc2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.91
_cell_length_b   3.91
_cell_length_c   5.05
_cell_angle_alpha   112.76
_cell_angle_beta   112.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTc2Sb
_chemical_formula_sum   'Al1 Tc2 Sb1'
_cell_volume   64.46
_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  0.77  0.0  0.77  1.0
  Tc  Tc2  1  0.84  0.95  0.84  1.0
  Sb  Sb3  1  0.89  0.0  0.84  1.0

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