data_YSnPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.29
_cell_length_b   5.49
_cell_length_c   5.49
_cell_angle_alpha   40.64
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSnPt2
_chemical_formula_sum   'Y1 Sn1 Pt2'
_cell_volume   84.26
_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
  Y  Y3  1  0.0  0.0  0.43  1.0
  Sn  Sn2  1  0.14  0.0  0.34  1.0
  Pt  Pt0  1  0.0  0.0  0.91  1.0
  Pt  Pt1  1  0.14  0.0  0.09  1.0

data_YSnPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.82
_cell_length_b   4.29
_cell_length_c   5.49
_cell_angle_alpha   90.0
_cell_angle_beta   110.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSnPt2
_chemical_formula_sum   'Y1 Sn1 Pt2'
_cell_volume   84.26
_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
  Y  Y0  1  0.57  0.0  0.57  1.0
  Sn  Sn1  1  0.66  0.14  0.66  1.0
  Pt  Pt2  1  0.09  0.0  0.09  1.0
  Pt  Pt3  1  0.91  0.14  0.91  1.0

Y Sn Pt Pt
Y Sn Pt Pt 0 1 o o o 1 3 o o o 2 3 o o + 