data_NaYPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.62
_cell_length_b   4.62
_cell_length_c   3.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   97.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaYPt2
_chemical_formula_sum   'Na1 Y1 Pt2'
_cell_volume   78.05
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Y  Y3  1  0.06  0.0  0.0  1.0
  Pt  Pt1  1  0.53  0.73  0.84  1.0
  Pt  Pt2  1  0.53  0.27  0.84  1.0

data_NaYPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.68
_cell_length_b   4.62
_cell_length_c   4.62
_cell_angle_alpha   97.02
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaYPt2
_chemical_formula_sum   'Na1 Y1 Pt2'
_cell_volume   78.05
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Y  Y1  1  0.0  0.06  0.0  1.0
  Pt  Pt2  1  0.84  0.53  0.27  1.0
  Pt  Pt3  1  0.84  0.53  0.73  1.0

Na Y Pt Pt
Na Y Pt Pt 0 1 o o o 0 2 - - - 0 3 o o - 0 3 - o - 1 2 o - - 1 2 - - - 1 3 o o - 2 3 o + o 2 3 o o o 