data_NiPt3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   5.33
_cell_angle_alpha   150.17
_cell_angle_beta   61.34
_cell_angle_gamma   127.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiPt3
_chemical_formula_sum   'Ni1 Pt3'
_cell_volume   58.9
_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  0.69  1.0
  Pt  Pt1  1  0.37  0.26  0.78  1.0
  Pt  Pt2  1  0.37  0.0  0.34  1.0
  Pt  Pt3  1  0.0  0.32  0.13  1.0

data_NiPt3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   4.69
_cell_length_c   5.33
_cell_angle_alpha   116.13
_cell_angle_beta   104.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiPt3
_chemical_formula_sum   'Ni1 Pt3'
_cell_volume   58.9
_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  0.31  0.31  1.0
  Pt  Pt1  1  0.32  0.19  0.19  1.0
  Pt  Pt2  1  0.63  0.66  0.29  1.0
  Pt  Pt3  1  0.89  0.48  0.11  1.0

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