data_[Sr12Ge6H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ge  2.0100  1.2500  0.7700
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.2306]
_cell_length_b [5.2306]
_cell_length_c [23.5537]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Sr6Ge3H2]
_chemical_formula_sum '[Sr12 Ge6 H4]'
_cell_volume [644.4105]
_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
[
  Sr  Sr0  8  0.0000  0.5000  0.0821  1.0
  Sr  Sr1  4  0.0000  0.0000  0.2935  1.0
  Ge  Ge2  4  0.0000  0.0000  0.1611  1.0
  Ge  Ge3  2  0.0000  0.0000  0.0000  1.0
  H  H4  4  0.0000  0.0000  0.4014  1.0
]