data_NbB2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   5.0
_cell_angle_alpha   40.17
_cell_angle_beta   40.17
_cell_angle_gamma   40.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbB2Pt
_chemical_formula_sum   'Nb1 B2 Pt1'
_cell_volume   46.78
_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  Nb2  1  0.0  0.0  0.0  1.0
  B  B0  1  0.0  0.0  0.46  1.0
  B  B1  1  0.0  0.0  0.3  1.0
  Pt  Pt3  1  0.0  0.0  0.88  1.0

data_NbB2Pt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.94
_cell_length_b   3.43
_cell_length_c   5.0
_cell_angle_alpha   90.0
_cell_angle_beta   113.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbB2Pt
_chemical_formula_sum   'Nb2 B4 Pt2'
_cell_volume   93.55
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  B  B1  2  0.0  0.0  0.54  1.0
  B  B2  2  0.0  0.0  0.7  1.0
  Pt  Pt3  2  0.0  0.0  0.12  1.0

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