data_[La6Ce8Ru8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ce  1.1200  1.8500  1.0800
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [23.6753]
_cell_length_b [3.8697]
_cell_length_c [6.5311]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.1119]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3(CeRu)4]
_chemical_formula_sum '[La6 Ce8 Ru8]'
_cell_volume [577.6740]
_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  0.1432  0.5000  0.7507  1
  La  La1  2  0.0000  0.0000  0.5000  1
  Ce  Ce2  4  0.0697  0.5000  0.1875  1
  Ce  Ce3  4  0.1997  0.0000  0.2853  1
  Ru  Ru4  4  0.0529  0.0000  0.9324  1
  Ru  Ru5  4  0.2453  0.0000  0.8206  1
]