data_[Cs16Be4H24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Be  1.5700  1.0500  0.5900
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [14.1108]
_cell_length_b [6.2183]
_cell_length_c [14.8790]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.1344]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Cs4BeH6]
_chemical_formula_sum '[Cs16 Be4 H24]'
_cell_volume [1209.3502]
_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
[
  Cs  Cs0  4  0.0344  0.2592  0.8085  1
  Cs  Cs1  4  0.1468  0.2345  0.1716  1
  Cs  Cs2  4  0.3015  0.2661  0.6091  1
  Cs  Cs3  4  0.3618  0.7813  0.4337  1
  Be  Be4  4  0.0879  0.2285  0.4123  1
  H  H5  4  0.0027  0.2388  0.3164  1
  H  H6  4  0.0699  0.0499  0.4693  1
  H  H7  4  0.0898  0.4268  0.4669  1
  H  H8  4  0.1846  0.1956  0.3970  1
  H  H9  4  0.2001  0.2711  0.7398  1
  H  H10  4  0.3407  0.2345  0.1298  1
]