data_FeTc2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   4.65
_cell_angle_alpha   100.85
_cell_angle_beta   100.85
_cell_angle_gamma   33.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeTc2Pd
_chemical_formula_sum   'Fe1 Tc2 Pd1'
_cell_volume   55.19
_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
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.43  0.0  0.05  1.0
  Tc  Tc3  1  0.63  0.0  0.51  1.0
  Pd  Pd1  1  0.03  0.0  0.28  1.0

data_FeTc2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.7
_cell_length_b   4.65
_cell_length_c   4.69
_cell_angle_alpha   100.85
_cell_angle_beta   106.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeTc2Pd
_chemical_formula_sum   'Fe1 Tc2 Pd1'
_cell_volume   55.19
_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
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.0  0.05  0.43  1.0
  Tc  Tc2  1  0.0  0.51  0.63  1.0
  Pd  Pd3  1  0.0  0.28  0.03  1.0

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