data_[Sc16Bi2Sb4]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.5380]
_cell_length_b [4.3945]
_cell_length_c [7.7034]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.8331]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sc8BiSb2]
_chemical_formula_sum '[Sc16 Bi2 Sb4]'
_cell_volume [519.6949]
_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  0.0434  0.0000  0.7404  1.0
  Sc  Sc1  4  0.0905  0.5000  0.4653  1.0
  Sc  Sc2  4  0.1563  0.0000  0.2328  1.0
  Sc  Sc3  4  0.1804  0.5000  0.9125  1.0
  Bi  Bi4  2  0.0000  0.5000  0.0000  1.0
  Sb  Sb5  4  0.2141  0.0000  0.6718  1.0
]