data_NiPt3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49
_cell_length_b   5.49
_cell_length_c   13.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiPt3
_chemical_formula_sum   'Ni6 Pt18'
_cell_volume   351.62
_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
  Ni  Ni0  1  0.0  0.0  0.12  1.0
  Ni  Ni1  1  0.0  0.0  0.37  1.0
  Ni  Ni2  1  0.0  0.17  0.62  1.0
  Ni  Ni3  1  0.0  0.17  0.12  1.0
  Ni  Ni4  1  0.74  0.58  0.36  1.0
  Ni  Ni5  1  0.74  0.58  0.87  1.0
  Pt  Pt6  1  0.39  0.37  0.12  1.0
  Pt  Pt7  1  0.74  0.02  0.12  1.0
  Pt  Pt8  1  0.1  0.37  0.12  1.0
  Pt  Pt9  1  0.36  0.39  0.37  1.0
  Pt  Pt10  1  0.0  0.73  0.37  1.0
  Pt  Pt11  1  0.64  0.39  0.37  1.0
  Pt  Pt12  1  0.63  0.96  0.37  1.0
  Pt  Pt13  1  0.0  0.58  0.37  1.0
  Pt  Pt14  1  0.37  0.96  0.37  1.0
  Pt  Pt15  1  0.63  0.96  0.86  1.0
  Pt  Pt16  1  0.0  0.58  0.86  1.0
  Pt  Pt17  1  0.37  0.96  0.86  1.0
  Pt  Pt18  1  0.11  0.79  0.12  1.0
  Pt  Pt19  1  0.74  0.17  0.12  1.0
  Pt  Pt20  1  0.37  0.79  0.12  1.0
  Pt  Pt21  1  0.11  0.79  0.63  1.0
  Pt  Pt22  1  0.74  0.17  0.63  1.0
  Pt  Pt23  1  0.37  0.79  0.63  1.0

data_NiPt3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.49
_cell_length_b   5.49
_cell_length_c   13.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiPt3
_chemical_formula_sum   'Ni6 Pt18'
_cell_volume   351.62
_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
  Ni  Ni0  1  0.0  0.0  0.12  1.0
  Ni  Ni1  1  0.0  0.0  0.37  1.0
  Ni  Ni2  1  0.0  0.17  0.12  1.0
  Ni  Ni3  1  0.0  0.17  0.62  1.0
  Ni  Ni4  1  0.74  0.58  0.36  1.0
  Ni  Ni5  1  0.74  0.58  0.87  1.0
  Pt  Pt6  1  0.0  0.58  0.37  1.0
  Pt  Pt7  1  0.0  0.58  0.86  1.0
  Pt  Pt8  1  0.0  0.73  0.37  1.0
  Pt  Pt9  1  0.1  0.37  0.12  1.0
  Pt  Pt10  1  0.11  0.79  0.12  1.0
  Pt  Pt11  1  0.11  0.79  0.63  1.0
  Pt  Pt12  1  0.36  0.39  0.37  1.0
  Pt  Pt13  1  0.37  0.79  0.12  1.0
  Pt  Pt14  1  0.37  0.79  0.63  1.0
  Pt  Pt15  1  0.37  0.96  0.37  1.0
  Pt  Pt16  1  0.37  0.96  0.86  1.0
  Pt  Pt17  1  0.39  0.37  0.12  1.0
  Pt  Pt18  1  0.63  0.96  0.37  1.0
  Pt  Pt19  1  0.63  0.96  0.86  1.0
  Pt  Pt20  1  0.64  0.39  0.37  1.0
  Pt  Pt21  1  0.74  0.02  0.12  1.0
  Pt  Pt22  1  0.74  0.17  0.12  1.0
  Pt  Pt23  1  0.74  0.17  0.63  1.0

Ni Ni Ni Ni Ni Ni Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt