data_[Ba10In4H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  In  1.7800  1.5500  0.9400
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.5825]
_cell_length_b [6.1072]
_cell_length_c [7.3880]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.7976]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba5(InH)2]
_chemical_formula_sum '[Ba10 In4 H4]'
_cell_volume [651.8756]
_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
[
  Ba  Ba0  4  0.1543  0.0000  0.5361  1.0
  Ba  Ba1  4  0.1626  0.5000  0.9241  1.0
  Ba  Ba2  2  0.0000  0.0000  0.0000  1.0
  In  In3  4  0.0625  0.5000  0.3462  1.0
  H  H4  4  0.1672  0.0000  0.8957  1.0
]