data_[Be2H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [2.4126]
_cell_length_b [3.8827]
_cell_length_c [5.0692]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.6105]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [BeH2]
_chemical_formula_sum '[Be2 H4]'
_cell_volume [46.3387]
_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  2  0.4321  0.1313  0.3524  1.0
  H  H1  2  0.1396  0.7124  0.8039  1.0
  H  H2  2  0.4443  0.7616  0.3781  1.0
]