data_[Sc12Sn8H4]
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/c]
_cell_length_a [12.9943]
_cell_length_b [5.9344]
_cell_length_c [6.4826]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.9814]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sc3Sn2H]
_chemical_formula_sum '[Sc12 Sn8 H4]'
_cell_volume [493.7596]
_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  8  0.1236  0.0734  0.6424  1
  Sc  Sc1  4  0.0000  0.4010  0.2500  1
  Sn  Sn2  8  0.1815  0.4461  0.0417  1
  H  H3  4  0.0000  0.0663  0.2500  1
]