data_[Ba1Be1Sn1H6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Be  1.5700  1.0500  0.5900
  Sn  1.9600  1.4500  0.8300
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.7612]
_cell_length_b [4.7863]
_cell_length_c [5.8843]
_cell_angle_alpha [75.9227]
_cell_angle_beta [77.6314]
_cell_angle_gamma [86.2747]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [BaBeSnH6]
_chemical_formula_sum '[Ba1 Be1 Sn1 H6]'
_cell_volume [127.0370]
_cell_formula_units_Z [1]
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
[
  Ba  Ba0  1  0.8492  0.9763  0.0869  1.0
  Be  Be1  1  0.5865  0.6872  0.7493  1.0
  Sn  Sn2  1  0.2943  0.4116  0.4576  1.0
  H  H3  1  0.2779  0.8013  0.3431  1.0
  H  H4  1  0.3998  0.8332  0.9120  1.0
  H  H5  1  0.4013  0.4441  0.7391  1.0
  H  H6  1  0.6721  0.4255  0.3057  1.0
  H  H7  1  0.7128  0.8872  0.5399  1.0
  H  H8  1  0.8061  0.5338  0.8664  1.0
]