data_[Cs3Na6Er3Cl18]
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
  Er  1.2400  1.7500  1.0300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.2847]
_cell_length_b [7.2847]
_cell_length_c [20.0740]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [CsNa2ErCl6]
_chemical_formula_sum '[Cs3 Na6 Er3 Cl18]'
_cell_volume [922.5409]
_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  0.2075  1.0
  Na  Na1  3  0.0000  0.0000  0.4783  1.0
  Na  Na2  3  0.0000  0.0000  0.9980  1.0
  Er  Er3  3  0.0000  0.0000  0.6726  1.0
  Cl  Cl4  9  0.0230  0.5685  0.2534  1.0
  Cl  Cl5  9  0.0247  0.3529  0.4071  1.0
]