data_SrAsPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.14
_cell_length_b   3.53
_cell_length_c   7.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrAsPt2
_chemical_formula_sum   'Sr1 As1 Pt2'
_cell_volume   81.12
_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  0.67  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.57  0.76  0.45  1.0
  Pt  Pt2  1  0.57  0.76  0.88  1.0

data_SrAsPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   3.53
_cell_length_c   7.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrAsPt2
_chemical_formula_sum   'Sr1 As1 Pt2'
_cell_volume   81.12
_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  0.67  1.0
  As  As1  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.57  0.76  0.45  1.0
  Pt  Pt3  1  0.57  0.76  0.88  1.0

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