data_[Y12Sb6Te4Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.1592]
_cell_length_b [4.3903]
_cell_length_c [8.8339]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1732]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y6Sb3Te2Pb]
_chemical_formula_sum '[Y12 Sb6 Te4 Pb2]'
_cell_volume [723.5046]
_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  0.0020  0.0000  0.7506  1.0
  Y  Y1  4  0.1639  0.5000  0.5900  1.0
  Y  Y2  4  0.1658  0.5000  0.0761  1.0
  Sb  Sb3  4  0.1684  0.0000  0.8330  1.0
  Sb  Sb4  2  0.0000  0.5000  0.5000  1.0
  Te  Te5  4  0.1673  0.0000  0.3358  1.0
  Pb  Pb6  2  0.0000  0.5000  0.0000  1.0
]