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 [P2_1/c]
_cell_length_a [9.3957]
_cell_length_b [7.5050]
_cell_length_c [11.3371]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.6444]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [NaLa3Ru]
_chemical_formula_sum '[Na4 La12 Ru4]'
_cell_volume [673.1481]
_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  0.0530  0.7086  0.5303  1.0
  La  La1  4  0.2147  0.0158  0.8217  1.0
  La  La2  4  0.2709  0.5110  0.9185  1.0
  La  La3  4  0.4408  0.1565  0.2054  1.0
  Ru  Ru4  4  0.4957  0.2056  0.9741  1.0
]