data_NiBPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   4.61
_cell_angle_alpha   133.54
_cell_angle_beta   133.54
_cell_angle_gamma   67.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiBPt2
_chemical_formula_sum   'Ni1 B1 Pt2'
_cell_volume   50.62
_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  Ni1  1  0.82  0.0  0.91  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.0  0.0  0.83  1.0
  Pt  Pt3  1  0.0  0.82  0.91  1.0

data_NiBPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.64
_cell_length_b   3.64
_cell_length_c   4.61
_cell_angle_alpha   113.23
_cell_angle_beta   113.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiBPt2
_chemical_formula_sum   'Ni1 B1 Pt2'
_cell_volume   50.62
_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  0.09  0.0  0.91  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.17  0.0  0.17  1.0
  Pt  Pt3  1  0.91  0.82  0.91  1.0

Ni B Pt Pt