data_[Y12Hg4Te6Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Hg  2.0000  1.5000  1.2450
  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 [19.6915]
_cell_length_b [4.2807]
_cell_length_c [8.9354]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.5446]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y6Hg2Te3Pb]
_chemical_formula_sum '[Y12 Hg4 Te6 Pb2]'
_cell_volume [705.2875]
_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  0.0098  0.0000  0.2538  1
  Y  Y1  4  0.1625  0.5000  0.6145  1
  Y  Y2  4  0.1703  0.5000  0.1237  1
  Hg  Hg3  4  0.1841  0.0000  0.3876  1
  Te  Te4  4  0.1619  0.0000  0.8630  1
  Te  Te5  2  0.0000  0.5000  0.5000  1
  Pb  Pb6  2  0.0000  0.5000  0.0000  1
]