data_[Ce8Tm8Ru12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Tm  1.2500  1.7500  1.0950
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [I2_13]
_cell_length_a [8.5515]
_cell_length_b [8.5515]
_cell_length_c [8.5515]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [199]
_chemical_formula_structural [Ce2Tm2Ru3]
_chemical_formula_sum '[Ce8 Tm8 Ru12]'
_cell_volume [625.3503]
_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  0.1964  0.1964  0.1964  1
  Tm  Tm1  8  0.0387  0.4613  0.5387  1
  Ru  Ru2  12  0.0000  0.2500  0.7975  1
]