data_[La12Ni12Ru4]
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 [10.8160]
_cell_length_b [4.1000]
_cell_length_c [14.6544]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6625]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3Ni3Ru]
_chemical_formula_sum '[La12 Ni12 Ru4]'
_cell_volume [619.2279]
_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  0.0493  0.5000  0.7739  1
  La  La1  4  0.1700  0.5000  0.0757  1
  La  La2  4  0.1827  0.0000  0.5946  1
  Ni  Ni3  4  0.0411  0.0000  0.9281  1
  Ni  Ni4  4  0.0470  0.5000  0.4372  1
  Ni  Ni5  4  0.1613  0.0000  0.2182  1
  Ru  Ru6  4  0.0977  0.0000  0.3654  1
]