data_[Bi4Te1Pd8]
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 [Pmm2]
_cell_length_a [4.0292]
_cell_length_b [4.2506]
_cell_length_c [15.4928]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Bi4TePd8]
_chemical_formula_sum '[Bi4 Te1 Pd8]'
_cell_volume [265.3431]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.9367  1
  Bi  Bi1  1  0.0000  0.5000  0.1161  1
  Bi  Bi2  1  0.5000  0.0000  0.3662  1
  Bi  Bi3  1  0.5000  0.5000  0.5470  1
  Te  Te4  1  0.0000  0.0000  0.6918  1
  Pd  Pd5  1  0.0000  0.0000  0.2358  1
  Pd  Pd6  1  0.0000  0.0000  0.5195  1
  Pd  Pd7  1  0.0000  0.5000  0.3925  1
  Pd  Pd8  1  0.0000  0.5000  0.8034  1
  Pd  Pd9  1  0.5000  0.0000  0.0911  1
  Pd  Pd10  1  0.5000  0.0000  0.8038  1
  Pd  Pd11  1  0.5000  0.5000  0.2444  1
  Pd  Pd12  1  0.5000  0.5000  0.9488  1
]