data_Nd2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.03
_cell_length_b   6.03
_cell_length_c   3.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd2O
_chemical_formula_sum   'Nd4 O2'
_cell_volume   133.27
_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
  Nd  Nd0  1  0.74  0.74  0.0  1.0
  Nd  Nd1  1  0.29  0.29  0.0  1.0
  Nd  Nd2  1  0.75  0.27  0.83  1.0
  Nd  Nd3  1  0.27  0.75  0.83  1.0
  O  O4  1  0.0  0.0  0.0  1.0
  O  O5  1  0.01  0.01  0.83  1.0

data_Nd2O
_symmetry_space_group_name_H-M   Cm
_cell_length_a   8.52
_cell_length_b   8.52
_cell_length_c   3.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Nd2O
_chemical_formula_sum   'Nd8 O4'
_cell_volume   266.53
_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
  Nd  Nd0  4  0.01  0.26  0.83  1.0
  Nd  Nd1  2  0.24  0.5  -0.0  1.0
  Nd  Nd2  2  0.29  0.0  -0.0  1.0
  O  O3  2  0.0  0.0  0.0  1.0
  O  O4  2  0.01  0.0  0.83  1.0

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