data_[Nd2H4Cl2O4]
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
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.3013]
_cell_length_b [3.8959]
_cell_length_c [6.8860]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.5632]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NdH2ClO2]
_chemical_formula_sum '[Nd2 H4 Cl2 O4]'
_cell_volume [156.1072]
_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  0.3089  0.7500  0.1329  1.0
  H  H1  2  0.1169  0.2500  0.7835  1.0
  H  H2  2  0.3077  0.7500  0.6953  1.0
  Cl  Cl3  2  0.2496  0.2500  0.4440  1.0
  O  O4  2  0.1006  0.2500  0.9189  1.0
  O  O5  2  0.4289  0.7500  0.8361  1.0
]