data_[La4Cu2Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Cu  1.9000  1.3500  0.8200
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.1067]
_cell_length_b [4.2080]
_cell_length_c [8.1417]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6951]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [La2CuRu]
_chemical_formula_sum '[La4 Cu2 Ru2]'
_cell_volume [196.9802]
_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  0.2220  0.7500  0.4418  1.0
  La  La1  2  0.2259  0.7500  0.9192  1.0
  Cu  Cu2  2  0.3580  0.2500  0.2137  1.0
  Ru  Ru3  2  0.3392  0.2500  0.7165  1.0
]