data_Nb2TcPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.79
_cell_length_b   2.79
_cell_length_c   8.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2TcPd
_chemical_formula_sum   'Nb2 Tc1 Pd1'
_cell_volume   65.63
_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  0.65  0.0  0.17  1.0
  Nb  Nb1  1  0.65  0.0  0.66  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.0  0.0  0.42  1.0

data_Nb2TcPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   2.79
_cell_length_c   8.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2TcPd
_chemical_formula_sum   'Nb2 Tc1 Pd1'
_cell_volume   65.63
_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  0.65  0.0  0.17  1.0
  Nb  Nb1  1  0.65  0.0  0.66  1.0
  Tc  Tc2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.0  0.0  0.42  1.0

Nb Nb Tc Pd
Nb Nb Tc Pd 0 2 + o o 0 3 + o o 0 3 o o o 1 3 o o o 1 3 + o o 1 1 o + o 1 1 + o o 1 2 + o + 3 3 o + o 3 3 + o o 