data_NiSb2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   3.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiSb2Pd
_chemical_formula_sum   'Ni1 Sb2 Pd1'
_cell_volume   74.53
_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
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.62  0.69  0.7  1.0
  Sb  Sb3  1  0.62  0.31  0.7  1.0
  Pd  Pd1  1  0.24  0.0  0.0  1.0

data_NiSb2Pd
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.4
_cell_length_b   4.68
_cell_length_c   4.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   NiSb2Pd
_chemical_formula_sum   'Ni1 Sb2 Pd1'
_cell_volume   74.58
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  2  0.7  0.31  0.62  1.0
  Pd  Pd2  1  0.0  0.0  0.24  1.0

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