data_LuO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.13
_cell_length_b   3.55
_cell_length_c   6.02
_cell_angle_alpha   90.0
_cell_angle_beta   108.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LuO2
_chemical_formula_sum   'Lu2 O4'
_cell_volume   83.72
_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  Lu0  1  0.17  0.89  0.66  1.0
  Lu  Lu1  1  0.08  0.66  0.06  1.0
  O  O2  1  0.53  0.89  0.55  1.0
  O  O3  1  0.72  0.66  0.17  1.0
  O  O4  1  0.23  0.89  0.44  1.0
  O  O5  1  0.02  0.66  0.28  1.0

data_LuO2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.55
_cell_length_b   4.13
_cell_length_c   6.02
_cell_angle_alpha   108.2
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   LuO2
_chemical_formula_sum   'Lu2 O4'
_cell_volume   83.72
_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  0.11  0.54  0.8  1.0
  O  O1  2  0.11  0.61  0.58  1.0
  O  O2  2  0.11  0.9  0.69  1.0

Lu Lu O O O O