data_[Nd6Si8Au14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Si  1.9000  1.1000  0.5400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.2659]
_cell_length_b [4.3801]
_cell_length_c [9.6167]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.7821]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3Si4Au7]
_chemical_formula_sum '[Nd6 Si8 Au14]'
_cell_volume [555.8351]
_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  0.1867  0.5000  0.1877  1
  Nd  Nd1  2  0.0000  0.0000  0.5000  1
  Si  Si2  4  0.1219  0.0000  0.3396  1
  Si  Si3  4  0.1643  0.5000  0.7815  1
  Au  Au4  4  0.0077  0.5000  0.7869  1
  Au  Au5  4  0.1567  0.0000  0.9131  1
  Au  Au6  4  0.1789  0.5000  0.5340  1
  Au  Au7  2  0.0000  0.0000  0.0000  1
]