data_[Sc8Bi6H8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Bi  2.0200  1.6000  1.0350
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.3373]
_cell_length_b [8.3564]
_cell_length_c [14.8014]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Sc4Bi3H4]
_chemical_formula_sum '[Sc8 Bi6 H8]'
_cell_volume [412.7739]
_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  0.0000  0.2830  0.5000  1
  Sc  Sc1  4  0.0000  0.5000  0.1926  1
  Bi  Bi2  4  0.0000  0.0000  0.1294  1
  Bi  Bi3  2  0.0000  0.5000  0.0000  1
  H  H4  8  0.0000  0.1383  0.3431  1
]