data_[Nb4Te12Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Te  2.1000  1.4000  1.2933
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Ama2]
_cell_length_a [3.6672]
_cell_length_b [24.5766]
_cell_length_c [6.7060]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [40]
_chemical_formula_structural [NbTe3Pd]
_chemical_formula_sum '[Nb4 Te12 Pd4]'
_cell_volume [604.3841]
_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
[
  Nb  Nb0  4  0.2500  0.1705  0.2878  1
  Te  Te1  4  0.2500  0.0706  0.4769  1
  Te  Te2  4  0.2500  0.2614  0.9851  1
  Te  Te3  4  0.2500  0.3732  0.5146  1
  Pd  Pd4  4  0.2500  0.3631  0.1148  1
]