data_Y2ZrPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.59
_cell_length_b   9.59
_cell_length_c   9.59
_cell_angle_alpha   21.43
_cell_angle_beta   21.43
_cell_angle_gamma   21.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2ZrPt
_chemical_formula_sum   'Y2 Zr1 Pt1'
_cell_volume   103.2
_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  Y1  1  0.0  0.0  0.43  1.0
  Y  Y2  1  0.0  0.0  0.67  1.0
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Pt  Pt0  1  0.0  0.0  0.05  1.0

data_Y2ZrPt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.18
_cell_length_b   3.57
_cell_length_c   9.59
_cell_angle_alpha   90.0
_cell_angle_beta   102.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Y2ZrPt
_chemical_formula_sum   'Y4 Zr2 Pt2'
_cell_volume   206.41
_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  0.33  1.0
  Y  Y1  2  0.0  0.0  0.57  1.0
  Zr  Zr2  2  0.0  0.0  0.0  1.0
  Pt  Pt3  2  0.0  0.0  0.95  1.0

Y Y Zr Pt
Y Y Zr Pt 0 1 o o o 2 3 o o o 