data_Y2HfPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.6
_cell_length_b   9.6
_cell_length_c   9.6
_cell_angle_alpha   21.22
_cell_angle_beta   21.22
_cell_angle_gamma   21.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2HfPt
_chemical_formula_sum   'Y2 Hf1 Pt1'
_cell_volume   101.39
_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  Y2  1  0.0  0.0  0.43  1.0
  Y  Y3  1  0.0  0.0  0.7  1.0
  Hf  Hf0  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.0  0.0  0.07  1.0

data_Y2HfPt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.12
_cell_length_b   3.53
_cell_length_c   9.6
_cell_angle_alpha   90.0
_cell_angle_beta   102.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Y2HfPt
_chemical_formula_sum   'Y4 Hf2 Pt2'
_cell_volume   202.79
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  -0.0  0.0  0.57  1.0
  Y  Y1  2  0.0  0.0  0.3  1.0
  Hf  Hf2  2  0.0  0.0  0.0  1.0
  Pt  Pt3  2  0.0  0.0  0.93  1.0

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