data_ZrAlTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   4.79
_cell_angle_alpha   107.96
_cell_angle_beta   107.96
_cell_angle_gamma   39.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAlTc2
_chemical_formula_sum   'Zr1 Al1 Tc2'
_cell_volume   66.18
_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  0.73  0.0  0.26  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.1  0.0  0.56  1.0
  Tc  Tc2  1  0.37  0.0  0.97  1.0

data_ZrAlTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   4.79
_cell_length_c   4.8
_cell_angle_alpha   107.96
_cell_angle_beta   109.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAlTc2
_chemical_formula_sum   'Zr1 Al1 Tc2'
_cell_volume   66.18
_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  0.0  0.26  0.73  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.0  0.56  0.1  1.0
  Tc  Tc3  1  0.0  0.97  0.37  1.0

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