data_[Ba8H8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [6.6342]
_cell_length_b [7.8248]
_cell_length_c [8.7388]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [BaH]
_chemical_formula_sum '[Ba8 H8]'
_cell_volume [453.6394]
_cell_formula_units_Z [8]
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  4  0.0062  0.1596  0.8710  1.0
  Ba  Ba1  4  0.0147  0.6685  0.1243  1.0
  H  H2  4  0.0646  0.3350  0.6241  1.0
  H  H3  4  0.2423  0.0024  0.1281  1.0
]