data_NiP2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.68
_cell_length_b   4.37
_cell_length_c   3.98
_cell_angle_alpha   90.0
_cell_angle_beta   107.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiP2Pd
_chemical_formula_sum   'Ni1 P2 Pd1'
_cell_volume   61.14
_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  0.84  0.0  0.52  1.0
  P  P1  1  0.65  0.18  0.37  1.0
  P  P2  1  0.48  0.0  0.95  1.0
  Pd  Pd3  1  0.79  0.18  0.87  1.0

data_NiP2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.68
_cell_length_b   3.98
_cell_length_c   4.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiP2Pd
_chemical_formula_sum   'Ni1 P2 Pd1'
_cell_volume   61.14
_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  0.16  0.48  0.0  1.0
  P  P1  1  0.35  0.63  0.82  1.0
  P  P2  1  0.52  0.05  0.0  1.0
  Pd  Pd3  1  0.21  0.13  0.82  1.0

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