data_[Na3Ce3Tm12Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ce  1.1200  1.8500  1.0800
  Tm  1.2500  1.7500  1.0950
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.3397]
_cell_length_b [8.3397]
_cell_length_c [21.0085]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [NaCe(TmSe2)4]
_chemical_formula_sum '[Na3 Ce3 Tm12 Se24]'
_cell_volume [1265.3984]
_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
[
  Na  Na0  3  0.0000  0.0000  0.6276  1.0
  Ce  Ce1  3  0.0000  0.0000  0.9961  1.0
  Tm  Tm2  9  0.0138  0.5069  0.5014  1.0
  Tm  Tm3  3  0.0000  0.0000  0.3734  1.0
  Se  Se4  9  0.0132  0.5066  0.7563  1.0
  Se  Se5  9  0.1776  0.3551  0.5757  1.0
  Se  Se6  3  0.0000  0.0000  0.2415  1.0
  Se  Se7  3  0.0000  0.0000  0.7611  1.0
]