data_[La20Ge8H8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ge  2.0100  1.2500  0.7700
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [20.9404]
_cell_length_b [6.8289]
_cell_length_c [6.5930]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [La5(GeH)2]
_chemical_formula_sum '[La20 Ge8 H8]'
_cell_volume [942.8096]
_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
[
  La  La0  8  0.0093  0.7480  0.2863  1.0
  La  La1  8  0.1519  0.0353  0.0312  1.0
  La  La2  4  0.2500  0.5650  0.0287  1.0
  Ge  Ge3  8  0.1052  0.0226  0.5331  1.0
  H  H4  4  0.0000  0.0000  0.0384  1.0
  H  H5  4  0.2500  0.6040  0.3958  1.0
]