data_AlCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.41
_cell_length_b   6.41
_cell_length_c   2.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   143.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCo2
_chemical_formula_sum   'Al2 Co4'
_cell_volume   68.65
_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  0.01  0.98  0.0  1.0
  Al  Al1  1  0.01  0.02  0.0  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  Co  Co3  1  0.01  0.0  0.4  1.0
  Co  Co4  1  0.01  0.92  0.4  1.0
  Co  Co5  1  0.01  0.08  0.4  1.0

data_AlCo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   4.03
_cell_length_c   6.41
_cell_angle_alpha   108.29
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCo2
_chemical_formula_sum   'Al2 Co4'
_cell_volume   68.65
_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  -0.0  0.98  0.99  1.0
  Al  Al1  1  0.0  0.02  0.03  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  Co  Co3  1  0.4  0.0  0.01  1.0
  Co  Co4  1  0.4  0.08  0.09  1.0
  Co  Co5  1  0.4  0.92  0.94  1.0

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