data_[Sc10Bi10Sb2]
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 [13.3626]
_cell_length_b [5.8953]
_cell_length_c [8.4640]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1658]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sc5Bi5Sb]
_chemical_formula_sum '[Sc10 Bi10 Sb2]'
_cell_volume [629.8072]
_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  0.1659  0.0000  0.3267  1
  Sc  Sc1  4  0.1687  0.0000  0.8421  1
  Sc  Sc2  2  0.0000  0.5000  0.0000  1
  Bi  Bi3  4  0.1539  0.5000  0.8094  1
  Bi  Bi4  4  0.1616  0.5000  0.3411  1
  Bi  Bi5  2  0.0000  0.0000  0.5000  1
  Sb  Sb6  2  0.0000  0.0000  0.0000  1
]