data_[Y12Bi6Sb4Se2]
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 [19.0810]
_cell_length_b [4.3919]
_cell_length_c [8.8192]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3765]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y6Bi3Sb2Se]
_chemical_formula_sum '[Y12 Bi6 Sb4 Se2]'
_cell_volume [719.0098]
_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  0.0002  0.0000  0.2417  1.0
  Y  Y1  4  0.1616  0.5000  0.0847  1.0
  Y  Y2  4  0.1678  0.5000  0.5793  1.0
  Bi  Bi3  4  0.1679  0.0000  0.8348  1.0
  Bi  Bi4  2  0.0000  0.5000  0.5000  1.0
  Sb  Sb5  4  0.1655  0.0000  0.3312  1.0
  Se  Se6  2  0.0000  0.5000  0.0000  1.0
]