data_AlCrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   7.53
_cell_length_c   5.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCrO3
_chemical_formula_sum   'Al4 Cr4 O12'
_cell_volume   191.02
_cell_formula_units_Z   4
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  0.41  0.65  0.96  1.0
  Al  Al1  1  0.11  0.88  0.45  1.0
  Al  Al2  1  0.94  0.65  0.57  1.0
  Al  Al3  1  0.64  0.88  0.06  1.0
  Cr  Cr4  1  0.0  0.77  0.0  1.0
  Cr  Cr5  1  0.53  0.77  0.51  1.0
  Cr  Cr6  1  0.53  0.0  0.51  1.0
  Cr  Cr7  1  0.0  0.0  0.0  1.0
  O  O8  1  0.23  0.17  0.31  1.0
  O  O9  1  0.35  0.36  0.8  1.0
  O  O10  1  0.7  0.59  0.22  1.0
  O  O11  1  0.82  0.94  0.71  1.0
  O  O12  1  0.82  0.36  0.71  1.0
  O  O13  1  0.7  0.17  0.22  1.0
  O  O14  1  0.35  0.94  0.8  1.0
  O  O15  1  0.23  0.59  0.31  1.0
  O  O16  1  0.44  0.88  0.71  1.0
  O  O17  1  0.14  0.65  0.22  1.0
  O  O18  1  0.91  0.88  0.8  1.0
  O  O19  1  0.61  0.65  0.31  1.0

data_AlCrO3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.02
_cell_length_b   5.05
_cell_length_c   7.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCrO3
_chemical_formula_sum   'Al4 Cr4 O12'
_cell_volume   191.02
_cell_formula_units_Z   4
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  0.06  0.64  0.88  1.0
  Al  Al1  1  0.45  0.11  0.88  1.0
  Al  Al2  1  0.57  0.94  0.65  1.0
  Al  Al3  1  0.96  0.41  0.65  1.0
  Cr  Cr4  1  -0.0  0.0  0.77  1.0
  Cr  Cr5  1  0.0  0.0  0.0  1.0
  Cr  Cr6  1  0.51  0.53  0.0  1.0
  Cr  Cr7  1  0.51  0.53  0.77  1.0
  O  O8  1  0.22  0.7  0.17  1.0
  O  O9  1  0.22  0.7  0.59  1.0
  O  O10  1  0.22  0.14  0.65  1.0
  O  O11  1  0.31  0.61  0.65  1.0
  O  O12  1  0.31  0.23  0.17  1.0
  O  O13  1  0.31  0.23  0.59  1.0
  O  O14  1  0.71  0.82  0.36  1.0
  O  O15  1  0.71  0.82  0.94  1.0
  O  O16  1  0.71  0.44  0.88  1.0
  O  O17  1  0.8  0.91  0.88  1.0
  O  O18  1  0.8  0.35  0.36  1.0
  O  O19  1  0.8  0.35  0.94  1.0

Al Al Al Al Cr Cr Cr Cr O O O O O O O O O O O O