data_[Ac2Be2H10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Be  1.5700  1.0500  0.5900
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.9388]
_cell_length_b [7.7422]
_cell_length_c [4.4507]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [AcBeH5]
_chemical_formula_sum '[Ac2 Be2 H10]'
_cell_volume [170.1844]
_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
[
  Ac  Ac0  2  0.0000  0.0000  0.2117  1
  Be  Be1  2  0.0000  0.5000  0.0739  1
  H  H2  4  0.0000  0.2792  0.0116  1
  H  H3  4  0.2351  0.0000  0.7084  1
  H  H4  2  0.0000  0.5000  0.7437  1
]