data_[Y12Tl2Bi4Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Tl  1.6200  1.9000  1.3325
  Bi  2.0200  1.6000  1.0350
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.2706]
_cell_length_b [4.3973]
_cell_length_c [8.9095]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2526]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y6TlBi2Te3]
_chemical_formula_sum '[Y12 Tl2 Bi4 Te6]'
_cell_volume [734.8721]
_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  0.0006  0.0000  0.7605  1.0
  Y  Y1  4  0.1614  0.5000  0.0816  1.0
  Y  Y2  4  0.1677  0.5000  0.5818  1.0
  Tl  Tl3  2  0.0000  0.5000  0.0000  1.0
  Bi  Bi4  4  0.1661  0.0000  0.3337  1.0
  Te  Te5  4  0.1693  0.0000  0.8329  1.0
  Te  Te6  2  0.0000  0.5000  0.5000  1.0
]