data_Zr3Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.21
_cell_length_b   9.46
_cell_length_c   5.9
_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   'Zr12 Pt4'
_cell_volume   346.66
_cell_formula_units_Z   4
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  Zr4  1  0.2  0.36  0.94  1.0
  Zr  Zr5  1  0.32  0.45  0.23  1.0
  Zr  Zr6  1  0.32  0.28  0.23  1.0
  Zr  Zr7  1  0.79  0.17  0.18  1.0
  Zr  Zr8  1  0.79  0.01  0.18  1.0
  Zr  Zr9  1  0.9  0.09  0.99  1.0
  Zr  Zr10  1  0.31  0.36  0.91  1.0
  Zr  Zr11  1  0.42  0.45  0.72  1.0
  Zr  Zr12  1  0.42  0.28  0.72  1.0
  Zr  Zr13  1  0.9  0.17  0.67  1.0
  Zr  Zr14  1  0.9  0.01  0.67  1.0
  Zr  Zr15  1  0.01  0.09  0.96  1.0
  Pt  Pt0  1  0.68  0.09  0.62  1.0
  Pt  Pt1  1  0.42  0.36  0.67  1.0
  Pt  Pt2  1  0.79  0.09  0.23  1.0
  Pt  Pt3  1  0.53  0.36  0.28  1.0

data_Zr3Pt
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.9
_cell_length_b   6.21
_cell_length_c   9.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Zr3Pt
_chemical_formula_sum   'Zr12 Pt4'
_cell_volume   346.66
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.22  0.79  0.78  1.0
  Zr  Zr1  2  0.22  0.79  0.95  1.0
  Zr  Zr2  2  0.27  0.32  0.05  1.0
  Zr  Zr3  2  0.27  0.32  0.22  1.0
  Zr  Zr4  2  0.46  0.2  0.14  1.0
  Zr  Zr5  2  0.49  0.1  0.14  1.0
  Pt  Pt6  2  0.17  0.58  0.86  1.0
  Pt  Pt7  2  0.22  0.32  0.14  1.0

Zr Zr Zr Zr Zr Zr Zr Zr Zr Zr Zr Zr Pt Pt Pt Pt
Zr Zr Zr Zr Zr Zr Zr Zr Zr Zr Zr Zr Pt Pt Pt Pt 0 6 o o o 1 15 o o o 1 2 o o o 2 15 o o o 3 14 o o o 4 14 o o o 5 11 + o o 7 13 o o o 8 13 o o o 9 12 o o o 9 10 o o o 10 12 o o o 