data_[Rb3Ca3B6F24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ca  1.0000  1.8000  1.1400
  B  2.0400  0.8500  0.4100
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.5500]
_cell_length_b [5.5500]
_cell_length_c [25.0602]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [RbCaB2F8]
_chemical_formula_sum '[Rb3 Ca3 B6 F24]'
_cell_volume [668.5041]
_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
[
  Rb  Rb0  3  -0.0000  0.0000  0.5000  1
  Ca  Ca1  3  0.0000  0.0000  0.0000  1
  B  B2  6  0.0000  0.0000  0.2663  1
  F  F3  18  0.0430  0.2602  0.7134  1
  F  F4  6  0.0000  0.0000  0.2110  1
]