data_[Ba4Yb4H16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Yb  1.1000  1.7500  1.0840
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0926]
_cell_length_b [13.1454]
_cell_length_c [6.1521]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [BaYbH4]
_chemical_formula_sum '[Ba4 Yb4 H16]'
_cell_volume [330.9755]
_cell_formula_units_Z [4]
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  0.0000  0.3855  0.7500  1
  Yb  Yb1  4  0.0000  0.1396  0.7500  1
  H  H2  8  0.0000  0.2163  0.0681  1
  H  H3  4  0.0000  0.0000  0.0000  1
  H  H4  4  0.0000  0.4208  0.2500  1
]