data_[Nd4Ir1Au1Cl2]
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
  Au  2.5400  1.3500  1.0700
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.3792]
_cell_length_b [4.1891]
_cell_length_c [7.8590]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0249]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Nd4IrAuCl2]
_chemical_formula_sum '[Nd4 Ir1 Au1 Cl2]'
_cell_volume [229.6702]
_cell_formula_units_Z [1]
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  0.2622  0.0000  0.7147  1.0
  Nd  Nd1  2  0.2693  0.5000  0.2917  1.0
  Ir  Ir2  1  0.5000  0.0000  0.5000  1.0
  Au  Au3  1  0.0000  0.5000  0.5000  1.0
  Cl  Cl4  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl5  1  0.5000  0.5000  0.0000  1.0
]