data_[Nd6Er8Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Er  1.2400  1.7500  1.0300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.8499]
_cell_length_b [7.7942]
_cell_length_c [15.7469]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Nd3(ErAu)4]
_chemical_formula_sum '[Nd6 Er8 Au8]'
_cell_volume [595.2520]
_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  0.0000  0.0000  0.1042  1.0
  Nd  Nd1  2  0.0000  0.5000  0.0000  1.0
  Er  Er2  8  0.0000  0.2125  0.3271  1.0
  Au  Au3  4  0.0000  0.3097  0.5000  1.0
  Au  Au4  4  0.0000  0.5000  0.2082  1.0
]