data_Al6Co7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.64
_cell_length_b   8.64
_cell_length_c   8.64
_cell_angle_alpha   32.2
_cell_angle_beta   32.2
_cell_angle_gamma   32.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al6Co7
_chemical_formula_sum   'Al6 Co7'
_cell_volume   162.94
_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  0.0  0.01  1.0
  Al  Al1  1  0.0  0.0  0.55  1.0
  Al  Al2  1  0.0  0.0  0.45  1.0
  Al  Al3  1  0.0  0.0  0.11  1.0
  Al  Al4  1  0.0  0.0  0.07  1.0
  Al  Al5  1  0.0  0.0  0.5  1.0
  Co  Co6  1  0.0  0.36  0.31  1.0
  Co  Co7  1  0.18  0.32  0.31  1.0
  Co  Co8  1  0.82  0.32  0.31  1.0
  Co  Co9  1  0.0  0.64  0.26  1.0
  Co  Co10  1  0.18  0.68  0.26  1.0
  Co  Co11  1  0.82  0.68  0.26  1.0
  Co  Co12  1  0.0  0.0  0.0  1.0

data_Al6Co7
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   8.64
_cell_angle_alpha   73.9
_cell_angle_beta   73.9
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al6Co7
_chemical_formula_sum   'Al6 Co7'
_cell_volume   162.94
_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  0.45  0.55  1.0
  Al  Al1  1  0.0  0.5  0.5  1.0
  Al  Al2  1  0.0  0.55  0.45  1.0
  Al  Al3  1  0.0  0.89  0.11  1.0
  Al  Al4  1  0.0  0.93  0.07  1.0
  Al  Al5  1  0.0  0.99  0.01  1.0
  Co  Co6  1  0.0  0.0  0.0  1.0
  Co  Co7  1  0.32  0.74  0.76  1.0
  Co  Co8  1  0.32  0.74  0.12  1.0
  Co  Co9  1  0.36  0.74  0.89  1.0
  Co  Co10  1  0.64  0.69  0.67  1.0
  Co  Co11  1  0.68  0.69  0.45  1.0
  Co  Co12  1  0.68  0.69  0.81  1.0

Al Al Al Al Al Al Co Co Co Co Co Co Co
Al Al Al Al Al Al Co Co Co Co Co Co Co 0 12 o o o 1 5 o o o 2 5 o o o 2 8 - o o 3 4 o o o 3 10 o - o 4 10 o - o 5 8 - o o 6 11 - o o 6 7 o o o 7 9 o o o 9 11 - o o 