data_[La4Sb12Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sb  2.0500  1.4500  0.8300
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Pbcm]
_cell_length_a [13.2656]
_cell_length_b [6.2199]
_cell_length_c [6.1160]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [57]
_chemical_formula_structural [LaSb3Ru]
_chemical_formula_sum '[La4 Sb12 Ru4]'
_cell_volume [504.6302]
_cell_formula_units_Z [4]
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  4  0.3035  0.0028  0.7500  1.0
  Sb  Sb1  4  0.0571  0.5995  0.2500  1.0
  Sb  Sb2  4  0.2113  0.5151  0.7500  1.0
  Sb  Sb3  4  0.4991  0.2500  0.0000  1.0
  Ru  Ru4  4  0.0966  0.2500  0.0000  1.0
]