data_[Bi2Te4Pd14Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  Te  2.1000  1.4000  1.2933
  Pd  2.2000  1.4000  0.8462
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.9112]
_cell_length_b [5.8398]
_cell_length_c [15.1617]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.2820]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BiTe2Pd7Pb2]
_chemical_formula_sum '[Bi2 Te4 Pd14 Pb4]'
_cell_volume [520.2497]
_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
[
  Bi  Bi0  2  0.0000  0.0000  0.0000  1
  Te  Te1  4  0.0682  0.5000  0.2473  1
  Pd  Pd2  8  0.2117  0.2493  0.8624  1
  Pd  Pd3  4  0.1257  0.5000  0.4269  1
  Pd  Pd4  2  0.0000  0.5000  0.0000  1
  Pb  Pb5  4  0.1226  0.0000  0.3999  1
]