data_Al2TcPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   4.54
_cell_angle_alpha   106.55
_cell_angle_beta   106.55
_cell_angle_gamma   32.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2TcPd
_chemical_formula_sum   'Al2 Tc1 Pd1'
_cell_volume   58.5
_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  0.91  0.0  0.3  1.0
  Al  Al1  1  0.47  0.0  0.95  1.0
  Tc  Tc3  1  0.92  0.0  0.77  1.0
  Pd  Pd2  1  0.07  0.0  0.48  1.0

data_Al2TcPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   4.54
_cell_length_c   5.0
_cell_angle_alpha   106.55
_cell_angle_beta   106.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2TcPd
_chemical_formula_sum   'Al2 Tc1 Pd1'
_cell_volume   58.5
_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  0.3  0.91  1.0
  Al  Al1  1  0.0  0.95  0.47  1.0
  Tc  Tc2  1  0.0  0.77  0.92  1.0
  Pd  Pd3  1  0.0  0.48  0.07  1.0

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