data_Zr2NbPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.68
_cell_length_b   5.68
_cell_length_c   5.68
_cell_angle_alpha   144.74
_cell_angle_beta   131.49
_cell_angle_gamma   61.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2NbPd
_chemical_formula_sum   'Zr2 Nb1 Pd1'
_cell_volume   78.53
_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
  Zr  Zr2  1  0.0  0.0  0.69  1.0
  Zr  Zr3  1  0.72  0.0  0.49  1.0
  Nb  Nb0  1  0.0  0.0  0.98  1.0
  Pd  Pd1  1  0.0  0.33  0.39  1.0

data_Zr2NbPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   4.67
_cell_length_c   5.68
_cell_angle_alpha   114.25
_cell_angle_beta   107.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2NbPd
_chemical_formula_sum   'Zr2 Nb1 Pd1'
_cell_volume   78.53
_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
  Zr  Zr0  1  0.23  0.51  0.23  1.0
  Zr  Zr1  1  0.31  0.31  0.31  1.0
  Nb  Nb2  1  0.02  0.02  0.02  1.0
  Pd  Pd3  1  0.61  0.95  0.95  1.0

Zr Zr Nb Pd