data_AlTc2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.97
_cell_length_b   4.2
_cell_length_c   5.36
_cell_angle_alpha   90.0
_cell_angle_beta   96.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTc2Sn
_chemical_formula_sum   'Al1 Tc2 Sn1'
_cell_volume   66.35
_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  0.26  0.1  0.16  1.0
  Tc  Tc3  1  0.08  0.1  0.17  1.0
  Sn  Sn1  1  0.17  0.0  0.66  1.0

data_AlTc2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   4.2
_cell_length_c   5.36
_cell_angle_alpha   90.0
_cell_angle_beta   96.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTc2Sn
_chemical_formula_sum   'Al1 Tc2 Sn1'
_cell_volume   66.35
_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  0.08  0.1  0.17  1.0
  Tc  Tc2  1  0.26  0.1  0.16  1.0
  Sn  Sn3  1  0.17  0.0  0.66  1.0

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