data_Nb2TcPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   2.75
_cell_angle_alpha   98.24
_cell_angle_beta   98.24
_cell_angle_gamma   113.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2TcPd
_chemical_formula_sum   'Nb2 Tc1 Pd1'
_cell_volume   65.52
_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
  Nb  Nb0  1  0.07  0.16  0.33  1.0
  Nb  Nb1  1  0.07  0.84  0.33  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.85  0.0  0.0  1.0

data_Nb2TcPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   113.09
_cell_angle_beta   98.24
_cell_angle_gamma   98.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2TcPd
_chemical_formula_sum   'Nb2 Tc1 Pd1'
_cell_volume   65.52
_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
  Nb  Nb0  1  0.33  0.07  0.84  1.0
  Nb  Nb1  1  0.33  0.07  0.16  1.0
  Tc  Tc2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.0  0.85  0.0  1.0

Nb Nb Tc Pd