data_Al2TcAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   138.42
_cell_angle_beta   138.42
_cell_angle_gamma   60.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2TcAg
_chemical_formula_sum   'Al2 Tc1 Ag1'
_cell_volume   60.94
_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  Al1  1  0.0  0.0  0.0  1.0
  Al  Al2  1  0.84  0.0  0.24  1.0
  Tc  Tc3  1  0.0  0.0  0.49  1.0
  Ag  Ag0  1  0.0  0.84  0.24  1.0

data_Al2TcAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.68
_cell_length_b   3.68
_cell_length_c   5.19
_cell_angle_alpha   110.79
_cell_angle_beta   110.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2TcAg
_chemical_formula_sum   'Al2 Tc1 Ag1'
_cell_volume   60.94
_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
  Al  Al1  1  0.24  0.4  0.4  1.0
  Tc  Tc2  1  0.49  0.49  0.49  1.0
  Ag  Ag3  1  0.4  0.24  0.4  1.0

Al Al Tc Ag