data_[Cs2Be2H6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Be  1.5700  1.0500  0.5900
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.1080]
_cell_length_b [5.9607]
_cell_length_c [7.8697]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2179]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsBeH3]
_chemical_formula_sum '[Cs2 Be2 H6]'
_cell_volume [227.6033]
_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
[
  Cs  Cs0  2  0.1823  0.2500  0.7689  1.0
  Be  Be1  2  0.2393  0.2500  0.2387  1.0
  H  H2  4  0.3037  0.0466  0.1717  1.0
  H  H3  2  0.0913  0.2500  0.3621  1.0
]