data_SiNi2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   4.31
_cell_angle_alpha   110.74
_cell_angle_beta   110.74
_cell_angle_gamma   34.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiNi2Pd
_chemical_formula_sum   'Si1 Ni2 Pd1'
_cell_volume   49.29
_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
  Si  Si3  1  0.25  0.0  0.85  1.0
  Ni  Ni0  1  0.7  0.0  0.06  1.0
  Ni  Ni1  1  0.27  0.0  0.88  1.0
  Pd  Pd2  1  0.82  0.0  0.21  1.0

data_SiNi2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   4.31
_cell_length_c   4.69
_cell_angle_alpha   110.74
_cell_angle_beta   107.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiNi2Pd
_chemical_formula_sum   'Si1 Ni2 Pd1'
_cell_volume   49.29
_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
  Si  Si0  1  0.0  0.85  0.25  1.0
  Ni  Ni1  1  0.0  0.06  0.7  1.0
  Ni  Ni2  1  0.0  0.88  0.27  1.0
  Pd  Pd3  1  0.0  0.21  0.82  1.0

Si Ni Ni Pd
Si Ni Ni Pd 0 2 o o o 1 3 o o o 