data_[Ce4Tm2Ru4]
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 [P-1]
_cell_length_a [4.7088]
_cell_length_b [6.3982]
_cell_length_c [8.0727]
_cell_angle_alpha [96.0823]
_cell_angle_beta [95.8697]
_cell_angle_gamma [104.4400]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ce2TmRu2]
_chemical_formula_sum '[Ce4 Tm2 Ru4]'
_cell_volume [232.1002]
_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
[
  Ce  Ce0  2  0.0243  0.3926  0.6884  1
  Ce  Ce1  2  0.2287  0.2826  0.0897  1
  Tm  Tm2  2  0.3202  0.9612  0.6718  1
  Ru  Ru3  2  0.2970  0.3092  0.4634  1
  Ru  Ru4  2  0.3000  0.7909  0.0067  1
]