data_TaInTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.89
_cell_length_b   2.89
_cell_length_c   8.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaInTc2
_chemical_formula_sum   'Ta1 In1 Tc2'
_cell_volume   68.67
_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
  Ta  Ta1  1  0.0  0.0  0.45  1.0
  In  In0  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.61  0.0  0.54  1.0
  Tc  Tc3  1  0.61  0.0  0.35  1.0

data_TaInTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   2.89
_cell_length_c   8.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaInTc2
_chemical_formula_sum   'Ta1 In1 Tc2'
_cell_volume   68.67
_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
  Ta  Ta0  1  0.0  0.0  0.45  1.0
  In  In1  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.61  0.0  0.35  1.0
  Tc  Tc3  1  0.61  0.0  0.54  1.0

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