data_[Nd12Co4Au2Cl6]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.2709]
_cell_length_b [4.0690]
_cell_length_c [8.8857]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2198]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd6Co2AuCl3]
_chemical_formula_sum '[Nd12 Co4 Au2 Cl6]'
_cell_volume [657.9229]
_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  0.0235  0.0000  0.2562  1.0
  Nd  Nd1  4  0.1636  0.5000  0.1242  1.0
  Nd  Nd2  4  0.1830  0.5000  0.5635  1.0
  Co  Co3  4  0.1683  0.0000  0.3395  1.0
  Au  Au4  2  0.0000  0.5000  0.0000  1.0
  Cl  Cl5  4  0.1706  0.0000  0.8402  1.0
  Cl  Cl6  2  0.0000  0.5000  0.5000  1.0
]