data_Nb2AsPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   135.53
_cell_angle_beta   135.53
_cell_angle_gamma   64.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2AsPd
_chemical_formula_sum   'Nb2 As1 Pd1'
_cell_volume   66.65
_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  0.95  0.0  0.18  1.0
  Nb  Nb2  1  0.0  0.0  0.36  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.0  0.95  0.18  1.0

data_Nb2AsPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.91
_cell_length_b   3.91
_cell_length_c   5.16
_cell_angle_alpha   112.23
_cell_angle_beta   112.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2AsPd
_chemical_formula_sum   'Nb2 As1 Pd1'
_cell_volume   66.65
_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  0.0  0.64  1.0
  Nb  Nb1  1  0.82  0.0  0.77  1.0
  As  As2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.77  0.95  0.77  1.0

Nb Nb As Pd