data_[La4Al2Ru2]
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 [Cm]
_cell_length_a [8.4481]
_cell_length_b [3.9408]
_cell_length_c [7.3818]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2363]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [La2AlRu]
_chemical_formula_sum '[La4 Al2 Ru2]'
_cell_volume [232.0368]
_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  0.3184  0.5000  0.3504  1.0
  La  La1  2  0.4776  0.5000  0.8985  1.0
  Al  Al2  2  0.1993  0.0000  0.6232  1.0
  Ru  Ru3  2  0.0047  0.5000  0.6279  1.0
]