data_BeNbB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.4
_cell_length_b   3.1
_cell_length_c   3.8
_cell_angle_alpha   90.0
_cell_angle_beta   97.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeNbB2
_chemical_formula_sum   'Be1 Nb1 B2'
_cell_volume   39.69
_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  Be2  1  0.82  0.0  0.95  1.0
  Nb  Nb3  1  0.51  0.55  0.78  1.0
  B  B0  1  0.79  0.0  0.02  1.0
  B  B1  1  0.24  0.55  0.9  1.0

data_BeNbB2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   3.4
_cell_length_c   3.8
_cell_angle_alpha   97.52
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeNbB2
_chemical_formula_sum   'Be1 Nb1 B2'
_cell_volume   39.69
_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  0.0  0.18  0.05  1.0
  Nb  Nb1  1  0.45  0.49  0.22  1.0
  B  B2  1  0.0  0.21  0.98  1.0
  B  B3  1  0.45  0.76  0.1  1.0

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