data_[Y2Bi6Te12]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [13.1014]
_cell_length_b [4.3842]
_cell_length_c [13.1968]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5793]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Y(BiTe2)3]
_chemical_formula_sum '[Y2 Bi6 Te12]'
_cell_volume [714.1800]
_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  2  0.3078  0.2500  0.9593  1.0
  Bi  Bi1  2  0.0993  0.7500  0.1487  1.0
  Bi  Bi2  2  0.1604  0.2500  0.5602  1.0
  Bi  Bi3  2  0.4658  0.7500  0.7019  1.0
  Te  Te4  2  0.0727  0.7500  0.3956  1.0
  Te  Te5  2  0.1102  0.7500  0.9251  1.0
  Te  Te6  2  0.2640  0.7500  0.7634  1.0
  Te  Te7  2  0.2659  0.2500  0.1904  1.0
  Te  Te8  2  0.3818  0.2500  0.5299  1.0
  Te  Te9  2  0.4697  0.7500  0.0982  1.0
]