data_[Ce3Er3Tm6Se18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Er  1.2400  1.7500  1.0300
  Tm  1.2500  1.7500  1.0950
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.2228]
_cell_length_b [7.2228]
_cell_length_c [19.3672]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [CeEr(TmSe3)2]
_chemical_formula_sum '[Ce3 Er3 Tm6 Se18]'
_cell_volume [874.9971]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.1875  1.0
  Er  Er1  3  0.0000  0.0000  0.6817  1.0
  Tm  Tm2  3  0.0000  0.0000  0.4854  1.0
  Tm  Tm3  3  0.0000  0.0000  0.9889  1.0
  Se  Se4  9  0.0057  0.3120  0.0821  1.0
  Se  Se5  9  0.0233  0.6406  0.2496  1.0
]