data_[La20Si8H8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Si  1.9000  1.1000  0.5400
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [20.5633]
_cell_length_b [6.7959]
_cell_length_c [6.4932]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [La5(SiH)2]
_chemical_formula_sum '[La20 Si8 H8]'
_cell_volume [907.3957]
_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  0.0099  0.7479  0.2865  1.0
  La  La1  8  0.1509  0.0386  0.0313  1.0
  La  La2  4  0.2500  0.5683  0.0277  1.0
  Si  Si3  8  0.1047  0.0257  0.5334  1.0
  H  H4  4  0.0000  0.0000  0.0386  1.0
  H  H5  4  0.2500  0.6023  0.3954  1.0
]