data_[K4Be4F14]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.5308]
_cell_length_b [8.4568]
_cell_length_c [5.1061]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.2036]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Be2F7]
_chemical_formula_sum '[K4 Be4 F14]'
_cell_volume [323.8463]
_cell_formula_units_Z [2]
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  4  0.0000  0.2613  0.5000  1.0
  Be  Be1  4  0.2139  0.0000  0.0230  1.0
  F  F2  8  0.2234  0.3583  0.1425  1.0
  F  F3  4  0.2195  0.5000  0.6878  1.0
  F  F4  2  0.0000  0.0000  0.0000  1.0
]