data_[Nd12H2C4O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  H  2.2000  0.2500  0.0000
  C  2.5500  0.7000  0.3000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.3742]
_cell_length_b [11.0668]
_cell_length_c [6.3459]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6140]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd6HC2O3]
_chemical_formula_sum '[Nd12 H2 C4 O6]'
_cell_volume [421.6787]
_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  8  0.2405  0.3248  0.7470  1.0
  Nd  Nd1  4  0.2336  0.5000  0.2576  1.0
  H  H2  2  0.0000  0.0000  0.0000  1.0
  C  C3  4  0.0000  0.3345  0.0000  1.0
  O  O4  4  0.0000  0.1739  0.5000  1.0
  O  O5  2  0.0000  0.5000  0.5000  1.0
]