data_[Cs6Er3Cd9F36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Er  1.2400  1.7500  1.0300
  Cd  1.6900  1.5500  1.0900
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.0231]
_cell_length_b [8.0231]
_cell_length_c [20.2918]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Cs2ErCd3F12]
_chemical_formula_sum '[Cs6 Er3 Cd9 F36]'
_cell_volume [1131.2006]
_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  0.3823  1.0
  Er  Er1  3  0.0000  0.0000  0.0000  1.0
  Cd  Cd2  9  0.0000  0.5000  0.5000  1.0
  F  F3  18  0.0616  0.5308  0.8576  1.0
  F  F4  18  0.0730  0.5365  0.6085  1.0
]