data_AlCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   4.6
_cell_angle_alpha   50.46
_cell_angle_beta   50.46
_cell_angle_gamma   50.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCo
_chemical_formula_sum   'Al2 Co2'
_cell_volume   53.49
_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  0.0  0.31  1.0
  Al  Al1  1  0.0  0.0  0.72  1.0
  Co  Co2  1  0.0  0.0  0.77  1.0
  Co  Co3  1  0.0  0.0  0.25  1.0

data_AlCo
_symmetry_space_group_name_H-M   C2/m
_cell_length_a   6.8
_cell_length_b   3.93
_cell_length_c   4.6
_cell_angle_alpha   90.0
_cell_angle_beta   119.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   12
_chemical_formula_structural   AlCo
_chemical_formula_sum   'Al4 Co4'
_cell_volume   106.97
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, y, -z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, -z'
  7  '-x+1/2, y+1/2, -z'
  8  'x+1/2, -y+1/2, 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  4  -0.0  0.0  0.3  1.0
  Co  Co1  4  0.0  0.0  0.24  1.0

Al Al Co Co
Al Al Co Co 0 3 o o o 1 2 o o o 