data_[La2Al4Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Al  1.6100  1.2500  0.6750
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.3967]
_cell_length_b [7.1916]
_cell_length_c [5.4132]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5341]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LaAl2Ru]
_chemical_formula_sum '[La2 Al4 Ru2]'
_cell_volume [161.3127]
_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
[
  La  La0  2  0.0310  0.2500  0.1227  1.0
  Al  Al1  4  0.3678  0.0575  0.6844  1.0
  Ru  Ru2  2  0.1704  0.7500  0.4063  1.0
]