data_AlCrCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   5.33
_cell_angle_alpha   150.94
_cell_angle_beta   150.94
_cell_angle_gamma   41.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCrCo
_chemical_formula_sum   'Al1 Cr1 Co1'
_cell_volume   35.58
_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  0.89  1.0
  Cr  Cr2  1  0.0  0.0  0.74  1.0
  Co  Co1  1  0.0  0.0  0.29  1.0

data_AlCrCo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.78
_cell_length_b   3.78
_cell_length_c   5.33
_cell_angle_alpha   90.0
_cell_angle_beta   110.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlCrCo
_chemical_formula_sum   'Al2 Cr2 Co2'
_cell_volume   71.16
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  '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  2  0.39  0.5  0.89  1.0
  Cr  Cr1  2  0.24  0.5  0.74  1.0
  Co  Co2  2  0.29  0.0  0.29  1.0

Al Cr Co
Al Cr Co 0 1 o o o 0 2 o o + 1 2 o o o 2 2 + o + 2 2 o + + 