data_[Nd6Ir2S2Cl2]
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
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.1963]
_cell_length_b [4.1209]
_cell_length_c [10.2773]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.8563]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Nd3IrSCl]
_chemical_formula_sum '[Nd6 Ir2 S2 Cl2]'
_cell_volume [346.3396]
_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  0.1702  0.7500  0.8874  1
  Nd  Nd1  2  0.3433  0.2500  0.6083  1
  Nd  Nd2  2  0.3511  0.2500  0.1773  1
  Ir  Ir3  2  0.4224  0.2500  0.8879  1
  S  S4  2  0.0914  0.7500  0.1528  1
  Cl  Cl5  2  0.1122  0.7500  0.6020  1
]