data_Sr2ZrPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.6
_cell_length_b   3.71
_cell_length_c   8.7
_cell_angle_alpha   90.0
_cell_angle_beta   91.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2ZrPt
_chemical_formula_sum   'Sr2 Zr1 Pt1'
_cell_volume   116.18
_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  Sr1  1  0.59  0.86  0.11  1.0
  Sr  Sr2  1  0.74  0.86  0.59  1.0
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Pt  Pt0  1  0.87  0.0  0.35  1.0

data_Sr2ZrPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.6
_cell_length_b   3.71
_cell_length_c   8.7
_cell_angle_alpha   90.0
_cell_angle_beta   91.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2ZrPt
_chemical_formula_sum   'Sr2 Zr1 Pt1'
_cell_volume   116.18
_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  0.59  0.86  0.11  1.0
  Sr  Sr1  1  0.74  0.86  0.59  1.0
  Zr  Zr2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.87  0.0  0.35  1.0

Sr Sr Zr Pt
Sr Sr Zr Pt 0 2 + + o 0 3 o + o 1 3 o + o 