data_NbCu2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.71
_cell_length_b   4.18
_cell_length_c   5.26
_cell_angle_alpha   90.0
_cell_angle_beta   104.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCu2Pd
_chemical_formula_sum   'Nb1 Cu2 Pd1'
_cell_volume   57.79
_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  Nb2  1  0.92  0.0  0.47  1.0
  Cu  Cu0  1  0.43  0.0  0.02  1.0
  Cu  Cu1  1  0.63  0.09  0.25  1.0
  Pd  Pd3  1  0.53  0.09  0.9  1.0

data_NbCu2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.71
_cell_length_b   4.18
_cell_length_c   5.26
_cell_angle_alpha   90.0
_cell_angle_beta   104.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCu2Pd
_chemical_formula_sum   'Nb1 Cu2 Pd1'
_cell_volume   57.79
_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  0.92  0.0  0.47  1.0
  Cu  Cu1  1  0.43  0.0  0.02  1.0
  Cu  Cu2  1  0.63  0.09  0.25  1.0
  Pd  Pd3  1  0.53  0.09  0.9  1.0

Nb Cu Cu Pd
Nb Cu Cu Pd 0 2 o o o 1 3 o o - 1 2 o o o 