data_NbBPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   5.02
_cell_angle_alpha   145.81
_cell_angle_beta   127.98
_cell_angle_gamma   63.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbBPt2
_chemical_formula_sum   'Nb1 B1 Pt2'
_cell_volume   55.32
_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
  Nb  Nb1  1  0.0  0.0  0.26  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.0  0.2  0.57  1.0
  Pt  Pt3  1  0.48  0.0  0.69  1.0

data_NbBPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   4.4
_cell_length_c   5.02
_cell_angle_alpha   116.01
_cell_angle_beta   107.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbBPt2
_chemical_formula_sum   'Nb1 B1 Pt2'
_cell_volume   55.32
_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
  Nb  Nb0  1  0.0  0.26  0.26  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.0  0.69  0.22  1.0
  Pt  Pt3  1  0.8  0.37  0.37  1.0

Nb B Pt Pt