data_[Sc8Sn4H12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Sn  1.9600  1.4500  0.8300
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.4401]
_cell_length_b [3.4193]
_cell_length_c [7.2348]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.9259]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sc2SnH3]
_chemical_formula_sum '[Sc8 Sn4 H12]'
_cell_volume [308.4364]
_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
[
  Sc  Sc0  4  0.0279  0.5000  0.2726  1.0
  Sc  Sc1  4  0.1892  0.0000  0.6451  1.0
  Sn  Sn2  4  0.1440  0.0000  0.0353  1.0
  H  H3  4  0.0610  0.0000  0.4015  1.0
  H  H4  4  0.0908  0.5000  0.6120  1.0
  H  H5  4  0.1892  0.5000  0.4611  1.0
]