data_[Cs6Tm3Cr9Cl36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tm  1.2500  1.7500  1.0950
  Cr  1.6600  1.4000  0.9400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.0959]
_cell_length_b [9.0959]
_cell_length_c [22.9393]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Cs2Tm(CrCl4)3]
_chemical_formula_sum '[Cs6 Tm3 Cr9 Cl36]'
_cell_volume [1643.6216]
_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
[
  Cs  Cs0  6  0.0000  0.0000  0.3922  1.0
  Tm  Tm1  3  0.0000  0.0000  0.0000  1.0
  Cr  Cr2  9  0.0000  0.5000  0.5000  1.0
  Cl  Cl3  18  0.0511  0.5256  0.6066  1.0
  Cl  Cl4  18  0.0714  0.5357  0.8493  1.0
]