data_Zr3Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.84
_cell_length_b   15.22
_cell_length_c   5.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3Pt
_chemical_formula_sum   'Zr18 Pt6'
_cell_volume   500.91
_cell_formula_units_Z   6
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
  Zr  Zr6  1  0.45  0.73  0.52  1.0
  Zr  Zr7  1  0.45  0.49  0.52  1.0
  Zr  Zr8  1  0.49  0.61  0.34  1.0
  Zr  Zr9  1  0.43  0.0  0.29  1.0
  Zr  Zr10  1  0.47  0.35  0.11  1.0
  Zr  Zr11  1  0.47  0.88  0.11  1.0
  Zr  Zr12  1  0.0  0.0  0.51  1.0
  Zr  Zr13  1  0.0  0.73  0.98  1.0
  Zr  Zr14  1  0.0  0.49  0.98  1.0
  Zr  Zr15  1  0.39  0.73  0.52  1.0
  Zr  Zr16  1  0.39  0.49  0.52  1.0
  Zr  Zr17  1  0.35  0.61  0.34  1.0
  Zr  Zr18  1  0.41  0.0  0.29  1.0
  Zr  Zr19  1  0.37  0.35  0.11  1.0
  Zr  Zr20  1  0.37  0.88  0.11  1.0
  Zr  Zr21  1  0.92  0.61  0.12  1.0
  Zr  Zr22  1  0.92  0.12  0.65  1.0
  Zr  Zr23  1  0.92  0.1  0.65  1.0
  Pt  Pt0  1  0.0  0.61  0.62  1.0
  Pt  Pt1  1  0.0  0.44  0.91  1.0
  Pt  Pt2  1  0.0  0.78  0.91  1.0
  Pt  Pt3  1  0.92  0.0  0.01  1.0
  Pt  Pt4  1  0.92  0.05  0.72  1.0
  Pt  Pt5  1  0.92  0.17  0.72  1.0

data_Zr3Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.63
_cell_length_b   5.84
_cell_length_c   15.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3Pt
_chemical_formula_sum   'Zr18 Pt6'
_cell_volume   500.91
_cell_formula_units_Z   6
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
  Zr  Zr0  1  0.11  0.37  0.35  1.0
  Zr  Zr1  1  0.11  0.37  0.88  1.0
  Zr  Zr2  1  0.11  0.47  0.35  1.0
  Zr  Zr3  1  0.11  0.47  0.88  1.0
  Zr  Zr4  1  0.12  0.92  0.61  1.0
  Zr  Zr5  1  0.29  0.41  0.0  1.0
  Zr  Zr6  1  0.29  0.43  0.0  1.0
  Zr  Zr7  1  0.34  0.35  0.61  1.0
  Zr  Zr8  1  0.34  0.49  0.61  1.0
  Zr  Zr9  1  0.51  0.0  0.0  1.0
  Zr  Zr10  1  0.52  0.39  0.49  1.0
  Zr  Zr11  1  0.52  0.39  0.73  1.0
  Zr  Zr12  1  0.52  0.45  0.49  1.0
  Zr  Zr13  1  0.52  0.45  0.73  1.0
  Zr  Zr14  1  0.65  0.92  0.1  1.0
  Zr  Zr15  1  0.65  0.92  0.12  1.0
  Zr  Zr16  1  0.98  0.0  0.49  1.0
  Zr  Zr17  1  0.98  0.0  0.73  1.0
  Pt  Pt18  1  0.01  0.92  0.0  1.0
  Pt  Pt19  1  0.62  0.0  0.61  1.0
  Pt  Pt20  1  0.72  0.92  0.05  1.0
  Pt  Pt21  1  0.72  0.92  0.17  1.0
  Pt  Pt22  1  0.91  0.0  0.44  1.0
  Pt  Pt23  1  0.91  0.0  0.78  1.0

Zr Zr Zr Zr Zr Zr Zr Zr Zr Zr Zr Zr Zr Zr Zr Zr Zr Zr Pt Pt Pt Pt Pt Pt