data_BeSiSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.16
_cell_length_b   5.95
_cell_length_c   3.21
_cell_angle_alpha   78.32
_cell_angle_beta   71.06
_cell_angle_gamma   30.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeSiSb
_chemical_formula_sum   'Be1 Si1 Sb1'
_cell_volume   55.93
_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  0.97  0.53  0.23  1.0
  Si  Si2  1  0.97  0.53  0.95  1.0
  Sb  Sb1  1  0.97  0.53  0.06  1.0

data_BeSiSb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.93
_cell_length_b   11.24
_cell_length_c   3.21
_cell_angle_alpha   90.0
_cell_angle_beta   127.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeSiSb
_chemical_formula_sum   'Be2 Si2 Sb2'
_cell_volume   111.86
_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
  Be  Be0  2  0.23  0.0  0.2  1.0
  Si  Si1  2  0.45  0.5  0.91  1.0
  Sb  Sb2  2  0.06  0.0  0.02  1.0

Be Si Sb
Be Si Sb 0 2 o o o 1 2 o o + 