data_[Nd4Rh2Au5]
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 [P2/m]
_cell_length_a [7.3847]
_cell_length_b [3.8759]
_cell_length_c [9.1033]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.2162]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Nd4Rh2Au5]
_chemical_formula_sum '[Nd4 Rh2 Au5]'
_cell_volume [259.8496]
_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  2  0.1961  0.5000  0.8588  1.0
  Nd  Nd1  2  0.2373  0.5000  0.4246  1.0
  Rh  Rh2  2  0.0717  0.0000  0.6443  1.0
  Au  Au3  2  0.1734  0.0000  0.1393  1.0
  Au  Au4  2  0.4499  0.0000  0.6699  1.0
  Au  Au5  1  0.5000  0.0000  0.0000  1.0
]