data_[Nd8Ir2Cl10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ir  2.2000  1.3500  0.7650
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.8582]
_cell_length_b [4.1042]
_cell_length_c [8.5264]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.3988]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd4IrCl5]
_chemical_formula_sum '[Nd8 Ir2 Cl10]'
_cell_volume [633.0793]
_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  4  0.0024  0.0000  0.7788  1.0
  Nd  Nd1  4  0.1560  0.5000  0.1114  1.0
  Ir  Ir2  2  0.0000  0.5000  0.0000  1.0
  Cl  Cl3  4  0.1665  0.0000  0.3475  1.0
  Cl  Cl4  4  0.1736  0.0000  0.8807  1.0
  Cl  Cl5  2  0.0000  0.5000  0.5000  1.0
]