data_[K4Mg4Be4F20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Mg  1.3100  1.5000  0.8600
  Be  1.5700  1.0500  0.5900
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.8823]
_cell_length_b [9.1347]
_cell_length_c [7.3329]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.2922]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KMgBeF5]
_chemical_formula_sum '[K4 Mg4 Be4 F20]'
_cell_volume [420.1855]
_cell_formula_units_Z [4]
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  0.3361  0.2500  1
  Mg  Mg1  4  0.0000  0.0000  0.0000  1
  Be  Be2  4  0.0000  0.3103  0.7500  1
  F  F3  8  0.0823  0.2095  0.6201  1
  F  F4  8  0.1862  0.4141  0.8914  1
  F  F5  4  0.0000  0.0613  0.2500  1
]