data_[Be2Al4H2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Al  1.6100  1.2500  0.6750
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.6203]
_cell_length_b [4.6722]
_cell_length_c [5.8778]
_cell_angle_alpha [66.7870]
_cell_angle_beta [78.3041]
_cell_angle_gamma [60.7543]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [BeAl2H]
_chemical_formula_sum '[Be2 Al4 H2]'
_cell_volume [101.7393]
_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
[
  Be  Be0  1  0.2559  0.5752  0.6290  1
  Be  Be1  1  0.2923  0.2929  0.3957  1
  Al  Al2  1  0.2917  0.8804  0.1848  1
  Al  Al3  1  0.6209  0.2978  0.9803  1
  Al  Al4  1  0.8094  0.1750  0.5328  1
  Al  Al5  1  0.9505  0.6295  0.0173  1
  H  H6  1  0.0874  0.3703  0.6114  1
  H  H7  1  0.5911  0.9706  0.4869  1
]