data_[Bi4Te4Pd4]
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 [5.3582]
_cell_length_b [8.3282]
_cell_length_c [7.1979]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0816]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [BiTePd]
_chemical_formula_sum '[Bi4 Te4 Pd4]'
_cell_volume [321.2020]
_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  0.2388  0.6223  0.0647  1
  Te  Te1  4  0.2526  0.1300  0.1046  1
  Pd  Pd2  4  0.4902  0.1228  0.7651  1
]