data_[Bi4Te4Pd12]
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 [P2_1/c]
_cell_length_a [7.3460]
_cell_length_b [6.8032]
_cell_length_c [10.9459]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.2118]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [BiTePd3]
_chemical_formula_sum '[Bi4 Te4 Pd12]'
_cell_volume [417.7487]
_cell_formula_units_Z [4]
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  0.0781  0.2460  0.6928  1.0
  Te  Te1  4  0.4433  0.7348  0.3539  1.0
  Pd  Pd2  4  0.0070  0.1527  0.4085  1.0
  Pd  Pd3  4  0.2501  0.5265  0.5919  1.0
  Pd  Pd4  4  0.4209  0.6107  0.0775  1.0
]