data_SrNb2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.03
_cell_length_b   3.03
_cell_length_c   9.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   101.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrNb2Pd
_chemical_formula_sum   'Sr1 Nb2 Pd1'
_cell_volume   84.03
_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  Sr3  1  0.0  0.0  0.54  1.0
  Nb  Nb0  1  0.92  0.0  0.95  1.0
  Nb  Nb1  1  0.0  0.0  0.88  1.0
  Pd  Pd2  1  0.92  0.0  0.98  1.0

data_SrNb2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   3.03
_cell_length_c   9.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   101.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrNb2Pd
_chemical_formula_sum   'Sr1 Nb2 Pd1'
_cell_volume   84.03
_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  0.0  0.54  1.0
  Nb  Nb1  1  0.0  0.0  0.88  1.0
  Nb  Nb2  1  0.92  0.0  0.95  1.0
  Pd  Pd3  1  0.92  0.0  0.98  1.0

Sr Nb Nb Pd
Sr Nb Nb Pd 0 0 o + o 0 0 + o o 0 2 o o o 1 3 o o o 1 2 + o o 