data_[Sc8H4Se10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  H  2.2000  0.2500  0.0000
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.4714]
_cell_length_b [3.7827]
_cell_length_c [7.5951]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5995]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sc4H2Se5]
_chemical_formula_sum '[Sc8 H4 Se10]'
_cell_volume [515.8009]
_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  0.0393  0.0000  0.2644  1.0
  Sc  Sc1  4  0.1694  0.5000  0.5315  1.0
  H  H2  4  0.0707  0.5000  0.3565  1.0
  Se  Se3  4  0.0948  0.0000  0.6564  1.0
  Se  Se4  4  0.1889  0.0000  0.2869  1.0
  Se  Se5  2  0.0000  0.5000  0.0000  1.0
]