data_Al5Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.04
_cell_length_b   6.04
_cell_length_c   6.75
_cell_angle_alpha   105.59
_cell_angle_beta   105.59
_cell_angle_gamma   28.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al5Sb
_chemical_formula_sum   'Al5 Sb1'
_cell_volume   113.87
_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
  Al  Al0  1  0.6  0.0  0.04  1.0
  Al  Al1  1  0.17  0.0  0.31  1.0
  Al  Al2  1  0.82  0.0  0.27  1.0
  Al  Al3  1  0.13  0.0  0.81  1.0
  Al  Al4  1  0.4  0.0  0.86  1.0
  Sb  Sb5  1  0.6  0.0  0.1  1.0

data_Al5Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   6.04
_cell_length_c   6.75
_cell_angle_alpha   105.59
_cell_angle_beta   90.0
_cell_angle_gamma   104.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al5Sb
_chemical_formula_sum   'Al5 Sb1'
_cell_volume   113.87
_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
  Al  Al0  1  0.0  0.18  0.73  1.0
  Al  Al1  1  0.0  0.4  0.96  1.0
  Al  Al2  1  0.0  0.6  0.14  1.0
  Al  Al3  1  0.0  0.83  0.69  1.0
  Al  Al4  1  0.0  0.87  0.19  1.0
  Sb  Sb5  1  0.0  0.4  0.9  1.0

Al Al Al Al Al Sb