data_[K4Be4F12]
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 [P2_12_12_1]
_cell_length_a [4.5448]
_cell_length_b [5.5499]
_cell_length_c [12.2669]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [KBeF3]
_chemical_formula_sum '[K4 Be4 F12]'
_cell_volume [309.4098]
_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  0.2253  0.6845  0.8586  1.0
  Be  Be1  4  0.1680  0.3004  0.0710  1.0
  F  F2  4  0.1774  0.7794  0.4582  1.0
  F  F3  4  0.2341  0.5657  0.0931  1.0
  F  F4  4  0.2380  0.1230  0.1622  1.0
]