data_[Sc8In8H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  In  1.7800  1.5500  0.9400
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.4444]
_cell_length_b [11.7063]
_cell_length_c [9.6722]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sc2In2H]
_chemical_formula_sum '[Sc8 In8 H4]'
_cell_volume [389.9937]
_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  0.0000  0.1398  0.9003  1
  Sc  Sc1  4  0.0000  0.4621  0.1402  1
  In  In2  4  0.0000  0.1164  0.3614  1
  In  In3  4  0.0000  0.2643  0.6320  1
  H  H4  4  0.0000  0.4114  0.3317  1
]