data_NiBPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.72
_cell_length_b   2.72
_cell_length_c   6.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiBPt2
_chemical_formula_sum   'Ni1 B1 Pt2'
_cell_volume   48.83
_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  0.0  0.0  0.3  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.9  0.0  0.23  1.0
  Pt  Pt3  1  0.9  0.0  0.38  1.0

data_NiBPt2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.72
_cell_length_b   2.72
_cell_length_c   6.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   NiBPt2
_chemical_formula_sum   'Ni1 B1 Pt2'
_cell_volume   48.85
_cell_formula_units_Z   1
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
  Ni  Ni0  1  0.0  0.0  0.3  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.9  0.0  0.23  1.0
  Pt  Pt3  1  0.9  0.0  0.38  1.0

Ni B Pt Pt
Ni B Pt Pt 0 2 - o o 0 3 - o o 1 2 - o o 