data_[Sr20Ge12H4]
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/mcm]
_cell_length_a [8.1869]
_cell_length_b [8.1869]
_cell_length_c [15.6643]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Sr5Ge3H]
_chemical_formula_sum '[Sr20 Ge12 H4]'
_cell_volume [1049.9052]
_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
[
  Sr  Sr0  16  0.1684  0.3316  0.8506  1
  Sr  Sr1  4  0.0000  0.0000  0.0000  1
  Ge  Ge2  8  0.1115  0.3885  0.5000  1
  Ge  Ge3  4  0.0000  0.0000  0.2500  1
  H  H4  4  0.0000  0.5000  0.2500  1
]