data_Be2NbSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.26
_cell_length_b   3.26
_cell_length_c   5.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   96.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2NbSb
_chemical_formula_sum   'Be2 Nb1 Sb1'
_cell_volume   58.58
_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  0.16  0.0  0.3  1.0
  Be  Be1  1  0.16  0.0  0.25  1.0
  Nb  Nb2  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.0  0.0  0.78  1.0

data_Be2NbSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   3.26
_cell_length_c   5.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   96.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2NbSb
_chemical_formula_sum   'Be2 Nb1 Sb1'
_cell_volume   58.58
_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  0.16  0.0  0.25  1.0
  Be  Be1  1  0.16  0.0  0.3  1.0
  Nb  Nb2  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.0  0.0  0.78  1.0

Be Be Nb Sb
Be Be Nb Sb 0 1 o o o 2 3 o o - 