data_[La16Mg4Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Mg  1.3100  1.5000  0.8600
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.4583]
_cell_length_b [13.0877]
_cell_length_c [6.3200]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0712]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La4MgRu]
_chemical_formula_sum '[La16 Mg4 Ru4]'
_cell_volume [747.8694]
_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  8  0.1126  0.1625  0.5484  1.0
  La  La1  8  0.2186  0.4074  0.8851  1.0
  Mg  Mg2  4  0.0000  0.3836  0.2500  1.0
  Ru  Ru3  4  0.0000  0.0017  0.2500  1.0
]