data_NiSbPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.15
_cell_length_b   3.68
_cell_length_c   5.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiSbPd2
_chemical_formula_sum   'Ni1 Sb1 Pd2'
_cell_volume   64.28
_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
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.0  0.0  0.77  1.0
  Pd  Pd1  1  0.58  0.84  0.33  1.0
  Pd  Pd2  1  0.58  0.84  0.2  1.0

data_NiSbPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   3.68
_cell_length_c   5.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiSbPd2
_chemical_formula_sum   'Ni1 Sb1 Pd2'
_cell_volume   64.28
_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
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.0  0.0  0.77  1.0
  Pd  Pd2  1  0.58  0.84  0.2  1.0
  Pd  Pd3  1  0.58  0.84  0.33  1.0

Ni Sb Pd Pd
Ni Sb Pd Pd 0 1 o o - 2 3 o o o 