data_Ni5Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.42
_cell_length_b   4.42
_cell_length_c   4.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni5Pt
_chemical_formula_sum   'Ni5 Pt1'
_cell_volume   70.48
_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
  Ni  Ni0  1  0.91  0.0  0.08  1.0
  Ni  Ni1  1  0.76  0.31  0.08  1.0
  Ni  Ni2  1  0.55  0.52  0.08  1.0
  Ni  Ni3  1  0.21  0.28  0.0  1.0
  Ni  Ni4  1  0.0  0.55  0.0  1.0
  Pt  Pt5  1  0.0  0.0  0.0  1.0

data_Ni5Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.17
_cell_length_b   4.42
_cell_length_c   4.42
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni5Pt
_chemical_formula_sum   'Ni5 Pt1'
_cell_volume   70.48
_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
  Ni  Ni0  1  0.0  0.0  0.55  1.0
  Ni  Ni1  1  0.0  0.21  0.28  1.0
  Ni  Ni2  1  0.08  0.55  0.52  1.0
  Ni  Ni3  1  0.08  0.76  0.31  1.0
  Ni  Ni4  1  0.08  0.91  0.0  1.0
  Pt  Pt5  1  0.0  0.0  0.0  1.0

Ni Ni Ni Ni Ni Pt
Ni Ni Ni Ni Ni Pt 0 5 + o o 0 3 + o o 1 4 + o o 1 2 o o o 2 3 o o o 3 5 o o o 