data_TcNiPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   4.61
_cell_angle_alpha   146.41
_cell_angle_beta   131.05
_cell_angle_gamma   60.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcNiPd
_chemical_formula_sum   'Tc1 Ni1 Pd1'
_cell_volume   40.5
_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
  Tc  Tc2  1  0.0  0.0  0.7  1.0
  Ni  Ni0  1  0.0  0.0  0.92  1.0
  Pd  Pd1  1  0.0  0.0  0.3  1.0

data_TcNiPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.66
_cell_length_b   3.82
_cell_length_c   4.61
_cell_angle_alpha   114.48
_cell_angle_beta   106.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcNiPd
_chemical_formula_sum   'Tc1 Ni1 Pd1'
_cell_volume   40.5
_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
  Tc  Tc0  1  0.0  0.7  0.7  1.0
  Ni  Ni1  1  0.0  0.92  0.92  1.0
  Pd  Pd2  1  0.0  0.3  0.3  1.0

Tc Ni Pd