data_[La4Ni4Ru4]
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 [C2/m]
_cell_length_a [10.9911]
_cell_length_b [4.1586]
_cell_length_c [5.6347]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7477]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaNiRu]
_chemical_formula_sum '[La4 Ni4 Ru4]'
_cell_volume [242.4055]
_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  0.1129  0.0000  0.2928  1
  Ni  Ni1  4  0.2149  0.0000  0.8778  1
  Ru  Ru2  4  0.1021  0.5000  0.6826  1
]