data_[Nd2C2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  C  2.5500  0.7000  0.3000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.2689]
_cell_length_b [4.9516]
_cell_length_c [5.7632]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.9282]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NdCO3]
_chemical_formula_sum '[Nd2 C2 O6]'
_cell_volume [119.9980]
_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  2  0.2125  0.7500  0.7682  1
  C  C1  2  0.2216  0.7500  0.2875  1
  O  O2  4  0.2855  0.5188  0.1763  1
  O  O3  2  0.0716  0.2500  0.6427  1
]