data_SrScPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   3.35
_cell_angle_alpha   95.32
_cell_angle_beta   95.32
_cell_angle_gamma   89.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrScPd2
_chemical_formula_sum   'Sr1 Sc1 Pd2'
_cell_volume   83.01
_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  0.56  0.0  0.0  1.0
  Sc  Sc2  1  0.0  0.0  0.0  1.0
  Pd  Pd0  1  0.56  0.25  0.66  1.0
  Pd  Pd1  1  0.56  0.75  0.66  1.0

data_SrScPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   5.0
_cell_length_c   5.0
_cell_angle_alpha   89.19
_cell_angle_beta   84.68
_cell_angle_gamma   84.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrScPd2
_chemical_formula_sum   'Sr1 Sc1 Pd2'
_cell_volume   83.01
_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  0.44  0.0  1.0
  Sc  Sc1  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.66  0.44  0.25  1.0
  Pd  Pd3  1  0.66  0.44  0.75  1.0

Sr Sc Pd Pd