data_NbB2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.39
_cell_length_b   3.39
_cell_length_c   5.19
_cell_angle_alpha   108.22
_cell_angle_beta   108.22
_cell_angle_gamma   55.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbB2Os
_chemical_formula_sum   'Nb1 B2 Os1'
_cell_volume   45.82
_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  0.36  1.0
  B  B1  1  0.17  0.0  0.5  1.0
  Os  Os3  1  0.08  0.0  0.43  1.0

data_NbB2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   3.39
_cell_length_c   5.19
_cell_angle_alpha   108.22
_cell_angle_beta   90.0
_cell_angle_gamma   117.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbB2Os
_chemical_formula_sum   'Nb1 B2 Os1'
_cell_volume   45.82
_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  0.0  0.0  1.0
  B  B1  1  0.0  0.83  0.5  1.0
  B  B2  1  0.0  1.0  0.64  1.0
  Os  Os3  1  0.0  0.92  0.57  1.0

Nb B B Os