data_LuAlO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.56
_cell_length_b   5.56
_cell_length_c   5.56
_cell_angle_alpha   55.19
_cell_angle_beta   55.19
_cell_angle_gamma   55.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LuAlO3
_chemical_formula_sum   'Lu2 Al2 O6'
_cell_volume   107.99
_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
  Lu  Lu2  1  0.0  0.0  0.95  1.0
  Lu  Lu3  1  0.0  0.0  0.15  1.0
  Al  Al0  1  0.0  0.0  0.92  1.0
  Al  Al1  1  0.0  0.0  0.17  1.0
  O  O4  1  0.09  0.27  0.13  1.0
  O  O5  1  0.95  0.08  0.13  1.0
  O  O6  1  0.96  0.65  0.13  1.0
  O  O7  1  0.04  0.35  0.97  1.0
  O  O8  1  0.05  0.92  0.97  1.0
  O  O9  1  0.91  0.73  0.97  1.0

data_LuAlO3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   5.56
_cell_angle_alpha   62.41
_cell_angle_beta   62.41
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   LuAlO3
_chemical_formula_sum   'Lu2 Al2 O6'
_cell_volume   107.99
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Lu  Lu0  2  0.0  0.4  0.1  1.0
  Al  Al1  2  0.0  0.37  0.13  1.0
  O  O2  2  0.08  0.58  0.89  1.0
  O  O3  2  0.27  0.58  0.56  1.0
  O  O4  2  0.35  0.42  0.69  1.0

Lu Lu Al Al O O O O O O