data_[K2Be4F10]
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]
_cell_length_a [8.1568]
_cell_length_b [4.5189]
_cell_length_c [6.0228]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.4591]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [KBe2F5]
_chemical_formula_sum '[K2 Be4 F10]'
_cell_volume [221.3242]
_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  2  0.0000  0.9931  0.0000  1.0
  Be  Be1  4  0.1663  0.5445  0.5948  1.0
  F  F2  4  0.1634  0.4628  0.8360  1.0
  F  F3  4  0.1898  0.2727  0.4358  1.0
  F  F4  2  0.0000  0.7003  0.5000  1.0
]