data_AlCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   5.53
_cell_angle_alpha   105.8
_cell_angle_beta   105.8
_cell_angle_gamma   30.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCo2
_chemical_formula_sum   'Al2 Co4'
_cell_volume   69.88
_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  0.7  0.0  0.38  1.0
  Al  Al1  1  0.53  0.0  0.93  1.0
  Co  Co2  1  0.86  0.0  0.23  1.0
  Co  Co3  1  0.63  0.0  0.64  1.0
  Co  Co4  1  0.37  0.0  0.07  1.0
  Co  Co5  1  0.59  0.0  0.66  1.0

data_AlCo2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.69
_cell_length_b   5.08
_cell_length_c   5.53
_cell_angle_alpha   105.8
_cell_angle_beta   90.0
_cell_angle_gamma   105.37
_symmetry_Int_Tables_number   2
_chemical_formula_structural   AlCo2
_chemical_formula_sum   'Al2 Co4'
_cell_volume   69.88
_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  0.0  0.08  0.72  1.0
  Co  Co1  2  0.0  0.02  0.99  1.0
  Co  Co2  2  0.0  0.25  0.58  1.0

Al Al Co Co Co Co
Al Al Co Co Co Co 0 2 o o o 1 4 o o + 3 5 o o o 