data_ZrAlTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.4
_cell_length_b   5.4
_cell_length_c   5.4
_cell_angle_alpha   145.65
_cell_angle_beta   132.19
_cell_angle_gamma   60.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAlTc2
_chemical_formula_sum   'Zr1 Al1 Tc2'
_cell_volume   65.14
_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
  Zr  Zr3  1  0.59  0.0  0.58  1.0
  Al  Al0  1  0.0  0.0  0.15  1.0
  Tc  Tc1  1  0.59  0.0  0.06  1.0
  Tc  Tc2  1  0.0  0.0  0.22  1.0

data_ZrAlTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   4.37
_cell_length_c   5.4
_cell_angle_alpha   113.9
_cell_angle_beta   107.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAlTc2
_chemical_formula_sum   'Zr1 Al1 Tc2'
_cell_volume   65.14
_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
  Zr  Zr0  1  0.01  0.42  0.01  1.0
  Al  Al1  1  0.85  0.85  0.85  1.0
  Tc  Tc2  1  0.53  0.94  0.53  1.0
  Tc  Tc3  1  0.78  0.78  0.78  1.0

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