data_Sr2NiPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.4
_cell_length_b   4.4
_cell_length_c   7.47
_cell_angle_alpha   106.69
_cell_angle_beta   106.69
_cell_angle_gamma   58.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2NiPd
_chemical_formula_sum   'Sr2 Ni1 Pd1'
_cell_volume   116.63
_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
  Sr  Sr2  1  0.14  0.0  0.73  1.0
  Sr  Sr3  1  0.07  0.0  0.33  1.0
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.6  0.0  0.53  1.0

data_Sr2NiPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.31
_cell_length_b   4.4
_cell_length_c   7.47
_cell_angle_alpha   106.69
_cell_angle_beta   90.0
_cell_angle_gamma   119.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2NiPd
_chemical_formula_sum   'Sr2 Ni1 Pd1'
_cell_volume   116.63
_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
  Sr  Sr0  1  0.0  0.86  0.27  1.0
  Sr  Sr1  1  0.0  0.93  0.67  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.0  0.4  0.47  1.0

Sr Sr Ni Pd