data_[Nd2H2I2Cl2]
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
  I  2.6600  1.4000  1.2733
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.0257]
_cell_length_b [4.0257]
_cell_length_c [15.0945]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [NdHICl]
_chemical_formula_sum '[Nd2 H2 I2 Cl2]'
_cell_volume [211.8550]
_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  0.6667  0.3333  0.0000  1
  Nd  Nd1  1  0.6667  0.3333  0.5000  1
  H  H2  1  0.0000  0.0000  0.0000  1
  H  H3  1  0.3333  0.6667  0.5000  1
  I  I4  2  0.3333  0.6667  0.8542  1
  Cl  Cl5  2  0.0000  0.0000  0.3846  1
]