data_[K3Be6B3O9F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Be  1.5700  1.0500  0.5900
  B  2.0400  0.8500  0.4100
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [4.4557]
_cell_length_b [4.4557]
_cell_length_c [19.4512]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [155]
_chemical_formula_structural [KBe2BO3F2]
_chemical_formula_sum '[K3 Be6 B3 O9 F6]'
_cell_volume [334.4397]
_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
[
  K  K0  3  0.0000  0.0000  0.0000  1.0
  Be  Be1  6  0.0000  0.0000  0.1963  1.0
  B  B2  3  0.0000  0.0000  0.5000  1.0
  O  O3  9  0.0000  0.3094  0.5000  1.0
  F  F4  6  0.0000  0.0000  0.2757  1.0
]