data_[Ga2B2H8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  B  2.0400  0.8500  0.4100
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.6593]
_cell_length_b [6.3403]
_cell_length_c [4.4168]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [GaBH4]
_chemical_formula_sum '[Ga2 B2 H8]'
_cell_volume [130.4770]
_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
[
  Ga  Ga0  2  0.0000  0.0000  0.3004  1.0
  B  B1  2  0.0000  0.5000  0.2151  1.0
  H  H2  4  0.0000  0.3418  0.0511  1.0
  H  H3  4  0.2166  0.5000  0.3771  1.0
]