data_SrNb2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.97
_cell_length_b   5.97
_cell_length_c   4.75
_cell_angle_alpha   106.65
_cell_angle_beta   106.65
_cell_angle_gamma   31.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrNb2Pd
_chemical_formula_sum   'Sr1 Nb2 Pd1'
_cell_volume   85.06
_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  0.0  1.0
  Nb  Nb0  1  0.66  0.0  0.22  1.0
  Nb  Nb1  1  0.41  0.0  0.31  1.0
  Pd  Pd2  1  0.04  0.0  0.27  1.0

data_SrNb2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   4.75
_cell_length_c   5.97
_cell_angle_alpha   106.65
_cell_angle_beta   105.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrNb2Pd
_chemical_formula_sum   'Sr1 Nb2 Pd1'
_cell_volume   85.06
_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  0.0  1.0
  Nb  Nb1  1  0.0  0.22  0.66  1.0
  Nb  Nb2  1  0.0  0.31  0.41  1.0
  Pd  Pd3  1  0.0  0.27  0.04  1.0

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