data_[Nd12Co4Au2I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Co  1.8800  1.3500  0.7683
  Au  2.5400  1.3500  1.0700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.1215]
_cell_length_b [4.1624]
_cell_length_c [9.4611]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.7817]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd6Co2AuI3]
_chemical_formula_sum '[Nd12 Co4 Au2 I6]'
_cell_volume [735.8349]
_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  0.0280  0.0000  0.2424  1
  Nd  Nd1  4  0.1621  0.5000  0.1407  1
  Nd  Nd2  4  0.1843  0.5000  0.5541  1
  Co  Co3  4  0.1696  0.0000  0.3419  1
  Au  Au4  2  0.0000  0.5000  0.0000  1
  I  I5  4  0.1636  0.0000  0.8366  1
  I  I6  2  0.0000  0.5000  0.5000  1
]