data_[Ce4Tm2Ru6]
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-3m1]
_cell_length_a [4.8758]
_cell_length_b [4.8758]
_cell_length_c [11.6966]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Ce2TmRu3]
_chemical_formula_sum '[Ce4 Tm2 Ru6]'
_cell_volume [240.8179]
_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  0.3333  0.6667  0.1712  1
  Ce  Ce1  1  0.0000  0.0000  0.0000  1
  Ce  Ce2  1  0.0000  0.0000  0.5000  1
  Tm  Tm3  2  0.3333  0.6667  0.6647  1
  Ru  Ru4  2  0.0000  0.0000  0.2526  1
  Ru  Ru5  2  0.3333  0.6667  0.4154  1
  Ru  Ru6  2  0.3333  0.6667  0.9202  1
]