data_[Be4Si8H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Si  1.9000  1.1000  0.5400
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [6.7522]
_cell_length_b [3.8873]
_cell_length_c [8.5017]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.9163]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [BeSi2H]
_chemical_formula_sum '[Be4 Si8 H4]'
_cell_volume [214.5965]
_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
[
  Be  Be0  4  0.1514  0.2105  0.0026  1
  Si  Si1  4  0.0454  0.6327  0.6447  1
  Si  Si2  4  0.0860  0.1327  0.2571  1
  H  H3  4  0.1640  0.5788  0.0182  1
]