data_SrNb2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   4.99
_cell_angle_alpha   129.19
_cell_angle_beta   129.19
_cell_angle_gamma   74.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrNb2B
_chemical_formula_sum   'Sr1 Nb2 B1'
_cell_volume   72.87
_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
  Sr  Sr3  1  0.0  0.14  0.98  1.0
  Nb  Nb1  1  0.14  0.0  0.98  1.0
  Nb  Nb2  1  0.0  0.0  0.97  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_SrNb2B
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.06
_cell_length_b   6.06
_cell_length_c   4.99
_cell_angle_alpha   90.0
_cell_angle_beta   127.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrNb2B
_chemical_formula_sum   'Sr2 Nb4 B2'
_cell_volume   145.73
_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
  Sr  Sr0  2  0.34  0.5  0.84  1.0
  Nb  Nb1  2  0.48  0.5  0.97  1.0
  Nb  Nb2  2  0.48  0.5  0.84  1.0
  B  B3  2  0.49  0.5  0.0  1.0

Sr Nb Nb B
Sr Nb Nb B 0 3 o o + 0 2 o o o 1 3 o o + 1 2 o o o 2 3 o o + 