data_[Y12Bi10Sb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  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 [7.7383]
_cell_length_b [13.4068]
_cell_length_c [7.7301]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4451]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y6Bi5Sb]
_chemical_formula_sum '[Y12 Bi10 Sb2]'
_cell_volume [756.2243]
_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
[
  Y  Y0  8  0.2470  0.1646  0.2474  1
  Y  Y1  4  0.2461  0.0000  0.7512  1
  Bi  Bi2  4  0.0000  0.1683  0.5000  1
  Bi  Bi3  4  0.0000  0.3336  0.0000  1
  Bi  Bi4  2  0.0000  0.5000  0.5000  1
  Sb  Sb5  2  0.0000  0.0000  0.0000  1
]