data_[Sc8Sn4H2]
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 [P2_1/m]
_cell_length_a [5.8592]
_cell_length_b [6.0739]
_cell_length_c [8.6052]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.8173]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sc4Sn2H]
_chemical_formula_sum '[Sc8 Sn4 H2]'
_cell_volume [288.1062]
_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
[
  Sc  Sc0  4  0.4585  0.5003  0.6974  1.0
  Sc  Sc1  2  0.0689  0.7500  0.3418  1.0
  Sc  Sc2  2  0.1337  0.7500  0.9512  1.0
  Sn  Sn3  2  0.1440  0.2500  0.3970  1.0
  Sn  Sn4  2  0.3200  0.2500  0.9741  1.0
  H  H5  2  0.2970  0.7500  0.2085  1.0
]