data_Nd3O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.6
_cell_length_b   8.6
_cell_length_c   3.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd3O
_chemical_formula_sum   'Nd6 O2'
_cell_volume   214.06
_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  0.94  0.54  0.83  1.0
  Nd  Nd1  1  0.66  0.54  0.83  1.0
  Nd  Nd2  1  0.3  0.38  0.83  1.0
  Nd  Nd3  1  0.36  0.91  0.5  1.0
  Nd  Nd4  1  0.64  0.91  0.5  1.0
  Nd  Nd5  1  0.0  0.07  0.5  1.0
  O  O6  1  0.3  0.48  0.5  1.0
  O  O7  1  0.0  0.97  0.83  1.0

data_Nd3O
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.34
_cell_length_b   8.6
_cell_length_c   8.6
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Nd3O
_chemical_formula_sum   'Nd6 O2'
_cell_volume   214.06
_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
  Nd  Nd0  2  0.33  0.21  0.69  1.0
  Nd  Nd1  2  0.33  0.49  0.69  1.0
  Nd  Nd2  2  0.33  0.85  0.85  1.0
  O  O3  2  0.33  0.15  0.26  1.0

Nd Nd Nd Nd Nd Nd O O