data_[Nd1Ge4Rh6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ge  2.0100  1.2500  0.7700
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [7.2234]
_cell_length_b [7.2234]
_cell_length_c [3.8836]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Nd(Ge2Rh3)2]
_chemical_formula_sum '[Nd1 Ge4 Rh6]'
_cell_volume [175.4895]
_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  0.0000  1.0
  Ge  Ge1  3  0.3961  0.1981  0.5000  1.0
  Ge  Ge2  1  0.3333  0.6667  0.0000  1.0
  Rh  Rh3  3  0.1999  0.3998  0.5000  1.0
  Rh  Rh4  3  0.5334  0.0668  0.0000  1.0
]