data_[Y8Bi2Te6]
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 [Cmmm]
_cell_length_a [8.8175]
_cell_length_b [12.4253]
_cell_length_c [4.3828]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Y4BiTe3]
_chemical_formula_sum '[Y8 Bi2 Te6]'
_cell_volume [480.1827]
_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  0.0000  0.2512  0.5000  1
  Y  Y1  4  0.2485  0.5000  0.0000  1
  Bi  Bi2  2  0.0000  0.0000  0.5000  1
  Te  Te3  4  0.2500  0.2500  0.0000  1
  Te  Te4  2  0.0000  0.5000  0.5000  1
]