data_[Nd8Ru4Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ru  2.2000  1.3000  0.6610
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.2636]
_cell_length_b [7.3122]
_cell_length_c [8.1335]
_cell_angle_alpha [107.3754]
_cell_angle_beta [105.2262]
_cell_angle_gamma [102.0215]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Nd4Ru2Pb]
_chemical_formula_sum '[Nd8 Ru4 Pb2]'
_cell_volume [378.0405]
_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  1  0.0340  0.6786  0.8093  1.0
  Nd  Nd1  1  0.3017  0.5513  0.1643  1.0
  Nd  Nd2  1  0.3496  0.1157  0.3245  1.0
  Nd  Nd3  1  0.4463  0.5488  0.7149  1.0
  Nd  Nd4  1  0.4753  0.1420  0.9092  1.0
  Nd  Nd5  1  0.7153  0.9136  0.5450  1.0
  Nd  Nd6  1  0.8071  0.6558  0.1465  1.0
  Nd  Nd7  1  0.8981  0.2721  0.3825  1.0
  Ru  Ru8  1  0.1228  0.2123  0.6879  1.0
  Ru  Ru9  1  0.5363  0.8830  0.1166  1.0
  Ru  Ru10  1  0.6447  0.5000  0.4242  1.0
  Ru  Ru11  1  0.7754  0.3451  0.7781  1.0
  Pb  Pb12  1  0.1878  0.8187  0.5159  1.0
  Pb  Pb13  1  0.9557  0.1130  0.9811  1.0
]