data_[La12Ni2Ru4]
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 [17.2838]
_cell_length_b [4.2233]
_cell_length_c [7.8616]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.4137]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6NiRu2]
_chemical_formula_sum '[La12 Ni2 Ru4]'
_cell_volume [569.0573]
_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  4  0.0046  0.0000  0.2471  1
  La  La1  4  0.1660  0.5000  0.0877  1
  La  La2  4  0.1677  0.5000  0.5747  1
  Ni  Ni3  2  0.0000  0.5000  0.0000  1
  Ru  Ru4  4  0.1625  0.0000  0.3253  1
]