data_[Ce12Sn24Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Sn  1.9600  1.4500  0.8300
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.6272]
_cell_length_b [16.9389]
_cell_length_c [13.4079]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ce3Sn6Ru]
_chemical_formula_sum '[Ce12 Sn24 Ru4]'
_cell_volume [1050.8964]
_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
[
  Ce  Ce0  8  0.0000  0.3961  0.5977  1.0
  Ce  Ce1  4  0.0000  0.3979  0.2500  1.0
  Sn  Sn2  8  0.0000  0.0717  0.5740  1.0
  Sn  Sn3  8  0.0000  0.2592  0.0696  1.0
  Sn  Sn4  4  0.0000  0.0379  0.2500  1.0
  Sn  Sn5  4  0.0000  0.2310  0.7500  1.0
  Ru  Ru6  4  0.0000  0.1933  0.2500  1.0
]