data_AlZnTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.68
_cell_length_b   4.05
_cell_length_c   5.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlZnTc2
_chemical_formula_sum   'Al1 Zn1 Tc2'
_cell_volume   57.93
_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
  Zn  Zn3  1  0.0  0.0  0.67  1.0
  Tc  Tc1  1  0.34  0.03  0.33  1.0
  Tc  Tc2  1  0.34  0.03  0.01  1.0

data_AlZnTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.68
_cell_length_b   4.05
_cell_length_c   5.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlZnTc2
_chemical_formula_sum   'Al1 Zn1 Tc2'
_cell_volume   57.93
_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
  Zn  Zn1  1  0.0  0.0  0.67  1.0
  Tc  Tc2  1  0.34  0.03  0.01  1.0
  Tc  Tc3  1  0.34  0.03  0.33  1.0

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