data_[Cs3Na6Ho3Cl18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Na  0.9300  1.8000  1.1600
  Ho  1.2300  1.7500  1.0410
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.2897]
_cell_length_b [7.2897]
_cell_length_c [20.1367]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [CsNa2HoCl6]
_chemical_formula_sum '[Cs3 Na6 Ho3 Cl18]'
_cell_volume [926.7015]
_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  3  0.0000  0.0000  0.2080  1
  Na  Na1  3  0.0000  0.0000  0.4783  1
  Na  Na2  3  0.0000  0.0000  0.9983  1
  Ho  Ho3  3  0.0000  0.0000  0.6733  1
  Cl  Cl4  9  0.0227  0.5677  0.2531  1
  Cl  Cl5  9  0.0228  0.3514  0.4072  1
]