data_NbTcPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   5.15
_cell_angle_alpha   142.1
_cell_angle_beta   128.8
_cell_angle_gamma   65.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbTcPd2
_chemical_formula_sum   'Nb1 Tc1 Pd2'
_cell_volume   64.49
_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  0.0  0.0  0.36  1.0
  Tc  Tc3  1  0.0  0.22  0.18  1.0
  Pd  Pd1  1  0.0  0.22  0.21  1.0
  Pd  Pd2  1  0.0  0.0  0.24  1.0

data_NbTcPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   4.45
_cell_length_c   5.15
_cell_angle_alpha   115.6
_cell_angle_beta   108.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbTcPd2
_chemical_formula_sum   'Nb1 Tc1 Pd2'
_cell_volume   64.49
_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  0.64  0.64  0.64  1.0
  Tc  Tc1  1  0.82  0.04  0.04  1.0
  Pd  Pd2  1  0.76  0.76  0.76  1.0
  Pd  Pd3  1  0.79  0.02  0.02  1.0

Nb Tc Pd Pd