data_[Nd3Rh3Pb3]
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
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.7775]
_cell_length_b [7.7775]
_cell_length_c [4.0573]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [NdRhPb]
_chemical_formula_sum '[Nd3 Rh3 Pb3]'
_cell_volume [212.5452]
_cell_formula_units_Z [3]
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  3  0.0000  0.4065  0.0000  1.0
  Rh  Rh1  2  0.3333  0.6667  0.5000  1.0
  Rh  Rh2  1  0.0000  0.0000  0.0000  1.0
  Pb  Pb3  3  0.0000  0.7402  0.5000  1.0
]