data_[Y12Ge2Bi4Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ge  2.0100  1.2500  0.7700
  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 [19.1178]
_cell_length_b [4.3667]
_cell_length_c [8.8176]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0716]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y6GeBi2Te3]
_chemical_formula_sum '[Y12 Ge2 Bi4 Te6]'
_cell_volume [717.0280]
_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  0.0007  0.0000  0.7782  1.0
  Y  Y1  4  0.1534  0.5000  0.0775  1.0
  Y  Y2  4  0.1652  0.5000  0.5816  1.0
  Ge  Ge3  2  0.0000  0.5000  0.0000  1.0
  Bi  Bi4  4  0.1668  0.0000  0.3335  1.0
  Te  Te5  4  0.1705  0.0000  0.8357  1.0
  Te  Te6  2  0.0000  0.5000  0.5000  1.0
]