data_SrTaPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.04
_cell_length_b   3.55
_cell_length_c   7.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTaPt2
_chemical_formula_sum   'Sr1 Ta1 Pt2'
_cell_volume   82.11
_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  Sr2  1  0.0  0.0  0.0  1.0
  Ta  Ta3  1  0.0  0.0  0.8  1.0
  Pt  Pt0  1  0.52  0.78  0.28  1.0
  Pt  Pt1  1  0.52  0.78  0.33  1.0

data_SrTaPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   3.55
_cell_length_c   7.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTaPt2
_chemical_formula_sum   'Sr1 Ta1 Pt2'
_cell_volume   82.11
_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
  Ta  Ta1  1  0.0  0.0  0.8  1.0
  Pt  Pt2  1  0.52  0.78  0.28  1.0
  Pt  Pt3  1  0.52  0.78  0.33  1.0

Sr Ta Pt Pt
Sr Ta Pt Pt 0 1 o o - 2 3 o o o 