data_BeB2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.09
_cell_length_b   3.48
_cell_length_c   5.26
_cell_angle_alpha   90.0
_cell_angle_beta   106.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeB2Sb
_chemical_formula_sum   'Be1 B2 Sb1'
_cell_volume   54.03
_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  0.0  0.0  0.0  1.0
  B  B0  1  0.82  0.74  0.75  1.0
  B  B1  1  0.77  0.74  0.29  1.0
  Sb  Sb3  1  0.79  0.0  0.52  1.0

data_BeB2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   3.48
_cell_length_c   5.26
_cell_angle_alpha   90.0
_cell_angle_beta   106.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeB2Sb
_chemical_formula_sum   'Be1 B2 Sb1'
_cell_volume   54.03
_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  0.0  0.0  1.0
  B  B1  1  0.77  0.74  0.29  1.0
  B  B2  1  0.82  0.74  0.75  1.0
  Sb  Sb3  1  0.79  0.0  0.52  1.0

Be B B Sb
Be B B Sb 0 1 - - - 1 3 o + o 2 3 o + o 