data_Al2CrCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   2.59
_cell_angle_alpha   100.74
_cell_angle_beta   100.74
_cell_angle_gamma   113.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2CrCo
_chemical_formula_sum   'Al2 Cr1 Co1'
_cell_volume   50.33
_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  0.87  0.97  0.22  1.0
  Al  Al1  1  0.87  0.03  0.22  1.0
  Cr  Cr3  1  0.0  0.0  0.0  1.0
  Co  Co2  1  0.61  0.0  0.0  1.0

data_Al2CrCo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.59
_cell_length_b   4.73
_cell_length_c   4.73
_cell_angle_alpha   113.08
_cell_angle_beta   100.74
_cell_angle_gamma   100.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2CrCo
_chemical_formula_sum   'Al2 Cr1 Co1'
_cell_volume   50.33
_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  0.22  0.87  0.97  1.0
  Al  Al1  1  0.22  0.87  0.03  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Co  Co3  1  0.0  0.61  0.0  1.0

Al Al Cr Co
Al Al Cr Co 0 1 o + o 0 2 + + o 0 3 o + o 1 2 + o o 1 3 o o o 