data_[Nd2Ga10Au14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ga  1.8100  1.3000  0.7600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [5.6891]
_cell_length_b [9.3926]
_cell_length_c [9.1285]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [NdGa5Au7]
_chemical_formula_sum '[Nd2 Ga10 Au14]'
_cell_volume [487.7886]
_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  2  0.0000  0.0000  0.0064  1.0
  Ga  Ga1  8  0.2419  0.2566  0.7473  1.0
  Ga  Ga2  2  0.0000  0.5000  0.2620  1.0
  Au  Au3  4  0.0000  0.3038  0.4842  1.0
  Au  Au4  4  0.0000  0.3386  0.0123  1.0
  Au  Au5  2  0.0000  0.0000  0.3447  1.0
  Au  Au6  2  0.0000  0.0000  0.6784  1.0
  Au  Au7  2  0.0000  0.5000  0.7265  1.0
]