data_[Nd4Co1Au1I2]
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 [P2/m]
_cell_length_a [7.4426]
_cell_length_b [4.1946]
_cell_length_c [8.4261]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6815]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Nd4CoAuI2]
_chemical_formula_sum '[Nd4 Co1 Au1 I2]'
_cell_volume [251.9802]
_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  0.2657  0.5000  0.1881  1
  Nd  Nd1  2  0.2855  0.0000  0.8151  1
  Co  Co2  1  0.5000  0.5000  0.0000  1
  Au  Au3  1  0.0000  0.0000  0.0000  1
  I  I4  1  0.0000  0.5000  0.5000  1
  I  I5  1  0.5000  0.0000  0.5000  1
]