data_Na2Nd2B2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.91
_cell_length_b   6.49
_cell_length_c   10.58
_cell_angle_alpha   90.0
_cell_angle_beta   117.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2Nd2B2O7
_chemical_formula_sum   'Na8 Nd8 B8 O28'
_cell_volume   663.26
_cell_formula_units_Z   4
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
  Na  Na0  1  0.02  0.78  0.93  1.0
  Na  Na1  1  0.96  0.71  0.43  1.0
  Na  Na2  1  0.5  0.54  0.11  1.0
  Na  Na3  1  0.49  0.96  0.25  1.0
  Na  Na4  1  0.03  0.37  0.9  1.0
  Na  Na5  1  0.95  0.12  0.46  1.0
  Na  Na6  1  0.49  0.62  0.14  1.0
  Na  Na7  1  0.5  0.87  0.22  1.0
  Nd  Nd8  1  0.9  0.26  0.36  1.0
  Nd  Nd9  1  0.08  0.23  1.0  1.0
  Nd  Nd10  1  0.62  0.51  0.68  1.0
  Nd  Nd11  1  0.37  0.99  0.68  1.0
  Nd  Nd12  1  0.59  0.71  0.52  1.0
  Nd  Nd13  1  0.4  0.78  0.84  1.0
  Nd  Nd14  1  0.93  0.96  0.52  1.0
  Nd  Nd15  1  0.05  0.53  0.84  1.0
  B  B16  1  0.4  0.63  0.62  1.0
  B  B17  1  0.58  0.86  0.74  1.0
  B  B18  1  0.12  0.88  0.42  1.0
  B  B19  1  0.87  0.61  0.94  1.0
  B  B20  1  0.97  0.25  0.95  1.0
  B  B21  1  0.02  0.24  0.41  1.0
  B  B22  1  0.55  0.5  0.09  1.0
  B  B23  1  0.43  0.99  0.27  1.0
  O  O24  1  0.97  0.59  0.23  1.0
  O  O25  1  0.01  0.91  0.13  1.0
  O  O26  1  0.55  0.83  0.81  1.0
  O  O27  1  0.44  0.66  0.55  1.0
  O  O28  1  0.22  0.24  0.51  1.0
  O  O29  1  0.76  0.26  0.85  1.0
  O  O30  1  0.3  0.48  0.53  1.0
  O  O31  1  0.69  0.01  0.83  1.0
  O  O32  1  0.38  0.27  0.89  1.0
  O  O33  1  0.6  0.22  0.47  1.0
  O  O34  1  0.14  0.52  0.15  1.0
  O  O35  1  0.85  0.98  0.21  1.0
  O  O36  1  0.22  0.45  0.59  1.0
  O  O37  1  0.77  0.04  0.77  1.0
  O  O38  1  0.3  0.69  0.45  1.0
  O  O39  1  0.68  0.8  0.91  1.0
  O  O40  1  0.08  0.54  0.11  1.0
  O  O41  1  0.9  0.95  0.25  1.0
  O  O42  1  0.44  0.79  0.93  1.0
  O  O43  1  0.54  0.7  0.43  1.0
  O  O44  1  0.78  0.93  0.96  1.0
  O  O45  1  0.2  0.57  0.4  1.0
  O  O46  1  0.73  0.68  0.08  1.0
  O  O47  1  0.25  0.81  0.28  1.0
  O  O48  1  0.08  0.17  0.19  1.0
  O  O49  1  0.9  0.32  0.17  1.0
  O  O50  1  0.44  0.42  0.85  1.0
  O  O51  1  0.54  0.07  0.51  1.0

data_Na2Nd2B2O7
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.49
_cell_length_b   10.58
_cell_length_c   10.91
_cell_angle_alpha   117.78
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Na2Nd2B2O7
_chemical_formula_sum   'Na8 Nd8 B8 O28'
_cell_volume   663.26
_cell_formula_units_Z   4
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
  Na  Na0  2  0.13  0.72  0.54  1.0
  Na  Na1  2  0.29  0.93  0.01  1.0
  Na  Na2  2  0.37  0.96  1.0  1.0
  Na  Na3  2  0.46  0.25  0.47  1.0
  Nd  Nd4  2  0.01  0.18  0.41  1.0
  Nd  Nd5  2  0.26  0.5  0.12  1.0
  Nd  Nd6  2  0.29  0.66  0.56  1.0
  Nd  Nd7  2  0.47  0.34  0.1  1.0
  B  B8  2  0.01  0.77  0.48  1.0
  B  B9  2  0.25  0.91  0.06  1.0
  B  B10  2  0.37  0.76  0.37  1.0
  B  B11  2  0.39  0.44  0.91  1.0
  O  O12  2  0.01  0.67  0.27  1.0
  O  O13  2  0.02  0.71  0.89  1.0
  O  O14  2  0.07  0.99  0.41  1.0
  O  O15  2  0.17  0.67  0.95  1.0
  O  O16  2  0.2  0.41  0.73  1.0
  O  O17  2  0.24  0.35  0.81  1.0
  O  O18  2  0.27  0.97  0.64  1.0
  O  O19  2  0.3  0.93  0.59  1.0
  O  O20  2  0.32  0.22  0.71  1.0
  O  O21  2  0.34  0.05  0.48  1.0
  O  O22  2  0.41  0.37  0.94  1.0
  O  O23  2  0.43  0.9  0.24  1.0
  O  O24  2  0.45  0.27  0.81  1.0
  O  O25  2  0.46  0.25  0.05  1.0

Na Na Na Na Na Na Na Na Nd Nd Nd Nd Nd Nd Nd Nd B B B B B B B B O O O O O O O O O O O O O O O O O O O O O O O O O O O O