data_[K4Be4Ni2H12F16]
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
  Ni  1.9100  1.3500  0.7400
  H  2.2000  0.2500  0.0000
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.0676]
_cell_length_b [11.5447]
_cell_length_c [7.8637]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5432]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K2Be2NiH6F8]
_chemical_formula_sum '[K4 Be4 Ni2 H12 F16]'
_cell_volume [519.1115]
_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  0.1690  0.1443  0.3818  1
  Be  Be1  4  0.2199  0.6734  0.8747  1
  Ni  Ni2  2  0.5000  0.0000  0.0000  1
  H  H3  4  0.3535  0.5940  0.5605  1
  H  H4  4  0.4087  0.5814  0.2603  1
  H  H5  4  0.4839  0.5954  0.6377  1
  F  F6  4  0.0695  0.7442  0.4336  1
  F  F7  4  0.1043  0.5697  0.7763  1
  F  F8  4  0.3641  0.5728  0.1278  1
  F  F9  4  0.4476  0.7166  0.8688  1
]