data_InCoTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.34
_cell_length_b   4.34
_cell_length_c   2.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InCoTc
_chemical_formula_sum   'In1 Co1 Tc1'
_cell_volume   45.7
_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  In1  1  0.17  0.25  0.74  1.0
  Co  Co0  1  0.0  0.0  0.05  1.0
  Tc  Tc2  1  0.0  0.51  0.0  1.0

data_InCoTc
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   4.34
_cell_length_c   4.34
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InCoTc
_chemical_formula_sum   'In1 Co1 Tc1'
_cell_volume   45.7
_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  0.74  0.17  0.25  1.0
  Co  Co1  1  0.05  0.0  0.0  1.0
  Tc  Tc2  1  0.0  -0.0  0.51  1.0

In Co Tc
In Co Tc 0 1 o o + 0 2 o o + 1 2 o - o 