data_FeTcPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.74
_cell_length_b   4.74
_cell_length_c   2.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeTcPd2
_chemical_formula_sum   'Fe1 Tc1 Pd2'
_cell_volume   55.89
_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
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.65  0.0  0.0  1.0
  Pd  Pd1  1  0.33  0.96  0.34  1.0
  Pd  Pd2  1  0.33  0.04  0.34  1.0

data_FeTcPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.68
_cell_length_b   4.74
_cell_length_c   4.74
_cell_angle_alpha   111.84
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeTcPd2
_chemical_formula_sum   'Fe1 Tc1 Pd2'
_cell_volume   55.89
_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
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.0  0.65  0.0  1.0
  Pd  Pd2  1  0.34  0.33  0.04  1.0
  Pd  Pd3  1  0.34  0.33  0.96  1.0

Fe Tc Pd Pd
Fe Tc Pd Pd 0 1 - o o 0 2 o - o 0 3 o o o 1 2 o - o 1 3 o o o 2 3 o + o 