data_[Ca4Be8H24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Be  1.5700  1.0500  0.5900
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.6382]
_cell_length_b [8.5702]
_cell_length_c [4.3933]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5834]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ca(BeH3)2]
_chemical_formula_sum '[Ca4 Be8 H24]'
_cell_volume [306.4238]
_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
[
  Ca  Ca0  4  0.0000  0.1914  0.2500  1.0
  Be  Be1  8  0.2089  0.4419  0.8609  1.0
  H  H2  8  0.1212  0.0398  0.9759  1.0
  H  H3  8  0.1282  0.4367  0.1107  1.0
  H  H4  8  0.1883  0.2968  0.6993  1.0
]