data_Be2NbB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77
_cell_length_b   4.77
_cell_length_c   4.77
_cell_angle_alpha   143.67
_cell_angle_beta   137.25
_cell_angle_gamma   57.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2NbB
_chemical_formula_sum   'Be2 Nb1 B1'
_cell_volume   43.38
_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
  Be  Be1  1  0.0  0.74  0.29  1.0
  Be  Be2  1  0.49  0.0  0.9  1.0
  Nb  Nb3  1  0.0  0.0  0.19  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_Be2NbB
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   3.48
_cell_length_c   4.77
_cell_angle_alpha   111.37
_cell_angle_beta   108.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2NbB
_chemical_formula_sum   'Be2 Nb1 B1'
_cell_volume   43.38
_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
  Be  Be0  1  0.59  0.1  0.59  1.0
  Be  Be1  1  0.71  0.45  0.45  1.0
  Nb  Nb2  1  0.81  0.81  0.81  1.0
  B  B3  1  0.0  0.0  0.0  1.0

Be Be Nb B