data_ZrInTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.94
_cell_length_b   2.94
_cell_length_c   8.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrInTc2
_chemical_formula_sum   'Zr1 In1 Tc2'
_cell_volume   71.89
_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  0.0  0.0  0.0  1.0
  In  In0  1  0.0  0.0  0.46  1.0
  Tc  Tc1  1  0.65  0.0  0.75  1.0
  Tc  Tc2  1  0.65  0.0  0.18  1.0

data_ZrInTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   2.94
_cell_length_c   8.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrInTc2
_chemical_formula_sum   'Zr1 In1 Tc2'
_cell_volume   71.89
_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  0.0  0.0  1.0
  In  In1  1  0.0  0.0  0.46  1.0
  Tc  Tc2  1  0.65  0.0  0.18  1.0
  Tc  Tc3  1  0.65  0.0  0.75  1.0

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