data_[Y12Bi4Sb2Se6]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.6750]
_cell_length_b [4.2847]
_cell_length_c [8.5803]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5507]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y6Bi2SbSe3]
_chemical_formula_sum '[Y12 Bi4 Sb2 Se6]'
_cell_volume [667.4553]
_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  4  0.0046  0.0000  0.7462  1.0
  Y  Y1  4  0.1613  0.5000  0.5958  1.0
  Y  Y2  4  0.1685  0.5000  0.0712  1.0
  Bi  Bi3  4  0.1669  0.0000  0.3347  1.0
  Sb  Sb4  2  0.0000  0.5000  0.0000  1.0
  Se  Se5  4  0.1674  0.0000  0.8345  1.0
  Se  Se6  2  0.0000  0.5000  0.5000  1.0
]