data_Al3Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42
_cell_length_b   5.42
_cell_length_c   4.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   122.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Co
_chemical_formula_sum   'Al6 Co2'
_cell_volume   110.31
_cell_formula_units_Z   2
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  0.04  0.12  1.0
  Al  Al1  1  0.6  0.96  0.35  1.0
  Al  Al2  1  0.86  0.5  0.12  1.0
  Al  Al3  1  0.34  0.5  0.35  1.0
  Al  Al4  1  0.34  0.5  0.12  1.0
  Al  Al5  1  0.86  0.5  0.35  1.0
  Co  Co6  1  0.6  0.04  0.35  1.0
  Co  Co7  1  0.6  0.96  0.12  1.0

data_Al3Co
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.47
_cell_length_b   5.19
_cell_length_c   5.42
_cell_angle_alpha   118.62
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Al3Co
_chemical_formula_sum   'Al6 Co2'
_cell_volume   110.31
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.12  0.04  0.54  1.0
  Al  Al1  2  0.12  0.5  0.26  1.0
  Al  Al2  2  0.12  0.5  0.74  1.0
  Co  Co3  2  0.12  0.96  0.46  1.0

Al Al Al Al Al Al Co Co