data_[Nd12Ge2Ir4Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ge  2.0100  1.2500  0.7700
  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 [19.0857]
_cell_length_b [4.1648]
_cell_length_c [8.8031]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5782]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd6GeIr2Cl3]
_chemical_formula_sum '[Nd12 Ge2 Ir4 Cl6]'
_cell_volume [670.6530]
_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  0.0160  0.0000  0.2433  1.0
  Nd  Nd1  4  0.1617  0.5000  0.1200  1.0
  Nd  Nd2  4  0.1760  0.5000  0.5641  1.0
  Ge  Ge3  2  0.0000  0.5000  0.0000  1.0
  Ir  Ir4  4  0.1688  0.0000  0.3403  1.0
  Cl  Cl5  4  0.1584  0.0000  0.8395  1.0
  Cl  Cl6  2  0.0000  0.5000  0.5000  1.0
]