data_[Ba4Al4Si4H2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Al  1.6100  1.2500  0.6750
  Si  1.9000  1.1000  0.5400
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.4231]
_cell_length_b [4.2614]
_cell_length_c [7.5865]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.8858]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Al2Si2H]
_chemical_formula_sum '[Ba4 Al4 Si4 H2]'
_cell_volume [329.4556]
_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  0.0553  0.5000  0.3020  1
  Al  Al1  4  0.2017  0.0000  0.0798  1
  Si  Si2  4  0.1847  0.0000  0.7278  1
  H  H3  2  0.0000  0.0000  0.0000  1
]