data_In2TcIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   5.48
_cell_angle_alpha   147.52
_cell_angle_beta   124.04
_cell_angle_gamma   66.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2TcIr
_chemical_formula_sum   'In2 Tc1 Ir1'
_cell_volume   72.19
_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
  In  In0  1  0.0  0.57  0.25  1.0
  In  In1  1  0.53  0.0  0.34  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.0  0.0  0.59  1.0

data_In2TcIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   5.14
_cell_length_c   5.48
_cell_angle_alpha   117.98
_cell_angle_beta   106.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2TcIr
_chemical_formula_sum   'In2 Tc1 Ir1'
_cell_volume   72.19
_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
  In  In0  1  0.0  0.34  0.8  1.0
  In  In1  1  0.43  0.68  0.68  1.0
  Tc  Tc2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.0  0.59  0.59  1.0

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