data_Sr2AlTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.57
_cell_length_b   4.39
_cell_length_c   7.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2AlTc
_chemical_formula_sum   'Sr2 Al1 Tc1'
_cell_volume   110.2
_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
  Sr  Sr1  1  0.78  0.2  0.82  1.0
  Sr  Sr2  1  0.78  0.2  0.21  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.0  0.0  0.52  1.0

data_Sr2AlTc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.57
_cell_length_b   4.39
_cell_length_c   7.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2AlTc
_chemical_formula_sum   'Sr2 Al1 Tc1'
_cell_volume   110.2
_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
  Sr  Sr0  1  0.78  0.2  0.21  1.0
  Sr  Sr1  1  0.78  0.2  0.82  1.0
  Al  Al2  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.0  0.0  0.52  1.0

Sr Sr Al Tc
Sr Sr Al Tc 0 2 + o + 0 3 + o o 1 2 + o o 1 3 + o o 