data_[Na4La12Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  La  1.1000  1.9500  1.1720
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [6.3194]
_cell_length_b [16.2474]
_cell_length_c [6.7415]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [NaLa3Ru]
_chemical_formula_sum '[Na4 La12 Ru4]'
_cell_volume [692.1795]
_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
[
  Na  Na0  4  0.0000  0.0000  0.5000  1.0
  La  La1  8  0.0000  0.1260  0.9337  1.0
  La  La2  4  0.0000  0.2500  0.4051  1.0
  Ru  Ru3  4  0.2500  0.2500  0.7500  1.0
]