data_ZnPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   4.29
_cell_length_c   5.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnPt
_chemical_formula_sum   'Zn4 Pt4'
_cell_volume   118.79
_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
  Zn  Zn4  1  0.43  0.07  0.36  1.0
  Zn  Zn5  1  0.19  0.22  0.71  1.0
  Zn  Zn6  1  0.04  0.07  0.58  1.0
  Zn  Zn7  1  0.8  0.22  0.94  1.0
  Pt  Pt0  1  0.63  0.07  0.7  1.0
  Pt  Pt1  1  0.98  0.22  0.35  1.0
  Pt  Pt2  1  0.24  0.07  0.94  1.0
  Pt  Pt3  1  0.6  0.22  0.59  1.0

data_ZnPt
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.29
_cell_length_b   5.23
_cell_length_c   5.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   ZnPt
_chemical_formula_sum   'Zn4 Pt4'
_cell_volume   118.79
_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
  Zn  Zn0  2  0.43  0.43  0.94  1.0
  Zn  Zn1  2  0.43  0.81  0.71  1.0
  Pt  Pt2  2  0.43  0.02  0.06  1.0
  Pt  Pt3  2  0.43  0.63  0.3  1.0

Zn Zn Zn Zn Pt Pt Pt Pt