data_SrP2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.47
_cell_length_b   5.47
_cell_length_c   5.47
_cell_angle_alpha   135.66
_cell_angle_beta   135.66
_cell_angle_gamma   64.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrP2Pd
_chemical_formula_sum   'Sr1 P2 Pd1'
_cell_volume   78.95
_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  0.63  1.0
  P  P0  1  0.0  0.07  0.31  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.07  0.0  0.31  1.0

data_SrP2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.13
_cell_length_b   4.13
_cell_length_c   5.47
_cell_angle_alpha   112.17
_cell_angle_beta   112.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrP2Pd
_chemical_formula_sum   'Sr1 P2 Pd1'
_cell_volume   78.95
_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  0.63  0.63  0.63  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  P  P2  1  0.25  0.31  0.25  1.0
  Pd  Pd3  1  0.31  0.25  0.25  1.0

Sr P P Pd