data_SrPd2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   5.06
_cell_angle_alpha   129.35
_cell_angle_beta   127.58
_cell_angle_gamma   75.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrPd2Pt
_chemical_formula_sum   'Sr1 Pd2 Pt1'
_cell_volume   77.09
_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
  Pd  Pd0  1  0.0  0.23  0.95  1.0
  Pd  Pd1  1  0.16  0.0  0.03  1.0
  Pt  Pt2  1  0.0  0.0  0.99  1.0

data_SrPd2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.33
_cell_length_b   4.47
_cell_length_c   5.06
_cell_angle_alpha   116.21
_cell_angle_beta   115.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrPd2Pt
_chemical_formula_sum   'Sr1 Pd2 Pt1'
_cell_volume   77.09
_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
  Pd  Pd1  1  0.05  0.28  0.28  1.0
  Pd  Pd2  1  0.13  0.97  0.13  1.0
  Pt  Pt3  1  0.01  0.01  0.01  1.0

Sr Pd Pd Pt
Sr Pd Pd Pt 0 3 o o - 0 1 o o - 0 2 o o o 1 2 o o + 1 3 o o o 2 3 o o - 