data_InTcPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   5.11
_cell_angle_alpha   147.39
_cell_angle_beta   134.83
_cell_angle_gamma   56.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InTcPd
_chemical_formula_sum   'In1 Tc1 Pd1'
_cell_volume   50.54
_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  0.0  0.01  1.0
  Tc  Tc2  1  0.0  0.0  0.92  1.0
  Pd  Pd1  1  0.0  0.0  0.05  1.0

data_InTcPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   3.92
_cell_length_c   5.11
_cell_angle_alpha   112.58
_cell_angle_beta   106.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InTcPd
_chemical_formula_sum   'In1 Tc1 Pd1'
_cell_volume   50.54
_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  0.99  0.99  0.99  1.0
  Tc  Tc1  1  0.08  0.08  0.08  1.0
  Pd  Pd2  1  0.95  0.95  0.95  1.0

In Tc Pd
In Tc Pd 0 2 o o o 0 1 o o - 