data_Lu2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.62
_cell_length_b   5.62
_cell_length_c   3.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Lu2O
_chemical_formula_sum   'Lu4 O2'
_cell_volume   108.36
_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  0.64  0.64  0.0  1.0
  Lu  Lu1  1  0.98  0.98  0.0  1.0
  Lu  Lu2  1  0.45  0.17  0.72  1.0
  Lu  Lu3  1  0.17  0.45  0.72  1.0
  O  O4  1  0.0  0.0  0.0  1.0
  O  O5  1  0.81  0.81  0.72  1.0

data_Lu2O
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.94
_cell_length_b   7.94
_cell_length_c   3.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Lu2O
_chemical_formula_sum   'Lu8 O4'
_cell_volume   216.72
_cell_formula_units_Z   4
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
  Lu  Lu0  4  0.31  0.14  0.72  1.0
  Lu  Lu1  2  0.14  0.5  0.0  1.0
  Lu  Lu2  2  0.48  0.5  0.0  1.0
  O  O3  2  0.0  0.0  0.0  1.0
  O  O4  2  0.31  0.5  0.72  1.0

Lu Lu Lu Lu O O
Lu Lu Lu Lu O O 0 5 o o - 1 4 + + o 1 5 o o - 2 3 o o o 4 5 - - - 