data_[Nd4Rh1Au3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Rh  2.2800  1.3500  0.7450
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.9130]
_cell_length_b [4.7377]
_cell_length_c [11.0832]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Nd4RhAu3]
_chemical_formula_sum '[Nd4 Rh1 Au3]'
_cell_volume [205.4711]
_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  1  0.0000  0.0000  0.1360  1
  Nd  Nd1  1  0.0000  0.5000  0.8744  1
  Nd  Nd2  1  0.5000  0.0000  0.6382  1
  Nd  Nd3  1  0.5000  0.5000  0.3460  1
  Rh  Rh4  1  0.5000  0.5000  0.0886  1
  Au  Au5  1  0.0000  0.0000  0.4138  1
  Au  Au6  1  0.0000  0.5000  0.5863  1
  Au  Au7  1  0.5000  0.0000  0.9167  1
]