data_[La24Ru8Pb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ru  2.2000  1.3000  0.6610
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.4908]
_cell_length_b [14.1235]
_cell_length_c [6.4280]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.8946]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La3RuPb]
_chemical_formula_sum '[La24 Ru8 Pb8]'
_cell_volume [1271.3633]
_cell_formula_units_Z [8]
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
[
  La  La0  8  0.0692  0.3442  0.5417  1.0
  La  La1  8  0.1142  0.0586  0.5718  1.0
  La  La2  8  0.1636  0.2009  0.1076  1.0
  Ru  Ru3  4  0.0000  0.1824  0.7500  1.0
  Ru  Ru4  4  0.0000  0.1830  0.2500  1.0
  Pb  Pb5  8  0.1707  0.4417  0.0716  1.0
]