data_[Bi10Te4Pd24]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.4560]
_cell_length_b [7.7540]
_cell_length_c [6.7287]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.6322]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Bi5(TePd6)2]
_chemical_formula_sum '[Bi10 Te4 Pd24]'
_cell_volume [754.1905]
_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  4  0.2070  0.5000  0.9441  1.0
  Bi  Bi1  4  0.2473  0.0000  0.5684  1.0
  Bi  Bi2  2  0.0000  0.0000  0.5000  1.0
  Te  Te3  4  0.0000  0.2669  0.0000  1.0
  Pd  Pd4  8  0.1080  0.3066  0.6491  1.0
  Pd  Pd5  8  0.1512  0.1878  0.2516  1.0
  Pd  Pd6  4  0.0546  0.5000  0.2939  1.0
  Pd  Pd7  4  0.1066  0.0000  0.8883  1.0
]