data_Zr2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.43
_cell_length_b   7.43
_cell_length_c   4.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   153.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Tc
_chemical_formula_sum   'Zr4 Tc2'
_cell_volume   118.47
_cell_formula_units_Z   2
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  Zr2  1  0.67  0.85  0.67  1.0
  Zr  Zr3  1  0.67  0.05  0.22  1.0
  Zr  Zr4  1  0.67  0.95  0.67  1.0
  Zr  Zr5  1  0.67  0.15  0.22  1.0
  Tc  Tc0  1  0.67  0.86  0.67  1.0
  Tc  Tc1  1  0.67  0.14  0.22  1.0

data_Zr2Tc
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.35
_cell_length_b   4.89
_cell_length_c   7.43
_cell_angle_alpha   90.0
_cell_angle_beta   103.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Zr2Tc
_chemical_formula_sum   'Zr4 Tc2'
_cell_volume   118.47
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.05  0.72  0.05  1.0
  Zr  Zr1  2  0.15  0.72  0.15  1.0
  Tc  Tc2  2  0.14  0.72  0.14  1.0

Zr Zr Zr Zr Tc Tc
Zr Zr Zr Zr Tc Tc 0 4 o o o 0 2 o o o 1 5 o o o 1 3 o o o 2 4 o o o 3 5 o o o 