data_[Cs6Ca9Ho3F36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ca  1.0000  1.8000  1.1400
  Ho  1.2300  1.7500  1.0410
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.1775]
_cell_length_b [8.1775]
_cell_length_c [20.4724]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Cs2Ca3HoF12]
_chemical_formula_sum '[Cs6 Ca9 Ho3 F36]'
_cell_volume [1185.5929]
_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  0.3880  1
  Ca  Ca1  9  0.0000  0.5000  0.5000  1
  Ho  Ho2  3  0.0000  0.0000  0.0000  1
  F  F3  18  0.0561  0.5281  0.8612  1
  F  F4  18  0.0812  0.5406  0.6065  1
]