data_BeAlSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.1
_cell_length_b   5.97
_cell_length_c   3.14
_cell_angle_alpha   77.22
_cell_angle_beta   72.7
_cell_angle_gamma   30.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAlSb
_chemical_formula_sum   'Be1 Al1 Sb1'
_cell_volume   54.5
_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  0.04  0.38  0.35  1.0
  Al  Al0  1  0.04  0.38  0.37  1.0
  Sb  Sb2  1  0.04  0.38  0.5  1.0

data_BeAlSb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.07
_cell_length_b   11.23
_cell_length_c   3.14
_cell_angle_alpha   90.0
_cell_angle_beta   130.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeAlSb
_chemical_formula_sum   'Be2 Al2 Sb2'
_cell_volume   109.01
_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  0.04  0.0  0.39  1.0
  Al  Al1  2  0.04  0.0  0.41  1.0
  Sb  Sb2  2  0.04  0.0  0.54  1.0

Be Al Sb