data_NaBPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   2.78
_cell_angle_alpha   105.74
_cell_angle_beta   105.74
_cell_angle_gamma   111.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaBPt2
_chemical_formula_sum   'Na1 B1 Pt2'
_cell_volume   56.62
_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
  Na  Na1  1  0.82  0.0  0.0  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.74  0.94  0.22  1.0
  Pt  Pt3  1  0.74  0.06  0.22  1.0

data_NaBPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   4.94
_cell_length_c   4.99
_cell_angle_alpha   119.35
_cell_angle_beta   105.74
_cell_angle_gamma   90.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaBPt2
_chemical_formula_sum   'Na1 B1 Pt2'
_cell_volume   56.62
_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
  Na  Na0  1  0.0  0.0  0.82  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.16  0.94  0.68  1.0
  Pt  Pt3  1  0.28  0.06  0.8  1.0

Na B Pt Pt