data_[La4Ni2Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ni  1.9100  1.3500  0.7400
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.0560]
_cell_length_b [4.0707]
_cell_length_c [7.9577]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0021]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [La2NiRu]
_chemical_formula_sum '[La4 Ni2 Ru2]'
_cell_volume [185.4833]
_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  0.2204  0.7500  0.9243  1.0
  La  La1  2  0.2234  0.7500  0.4363  1.0
  Ni  Ni2  2  0.3559  0.2500  0.2123  1.0
  Ru  Ru3  2  0.3499  0.2500  0.7167  1.0
]