data_NbAsPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   5.33
_cell_angle_alpha   145.27
_cell_angle_beta   131.54
_cell_angle_gamma   60.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbAsPd2
_chemical_formula_sum   'Nb1 As1 Pd2'
_cell_volume   63.97
_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  Nb1  1  0.0  0.0  0.59  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.59  0.0  0.09  1.0
  Pd  Pd3  1  0.0  0.19  0.5  1.0

data_NbAsPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   4.38
_cell_length_c   5.33
_cell_angle_alpha   114.23
_cell_angle_beta   107.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbAsPd2
_chemical_formula_sum   'Nb1 As1 Pd2'
_cell_volume   63.97
_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  0.59  0.59  1.0
  As  As1  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.0  0.09  0.5  1.0
  Pd  Pd3  1  0.81  0.31  0.31  1.0

Nb As Pd Pd