data_[Nd6Ho8Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ho  1.2300  1.7500  1.0410
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.8484]
_cell_length_b [7.8071]
_cell_length_c [15.7958]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Nd3(HoAu)4]
_chemical_formula_sum '[Nd6 Ho8 Au8]'
_cell_volume [597.8986]
_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  0.1038  1.0
  Nd  Nd1  2  0.0000  0.5000  0.0000  1.0
  Ho  Ho2  8  0.0000  0.2134  0.3271  1.0
  Au  Au3  4  0.0000  0.3104  0.5000  1.0
  Au  Au4  4  0.0000  0.5000  0.2075  1.0
]