data_[Nb4Te20Pd4]
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 [C2/c]
_cell_length_a [10.7248]
_cell_length_b [9.1302]
_cell_length_c [9.1841]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8919]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NbTe5Pd]
_chemical_formula_sum '[Nb4 Te20 Pd4]'
_cell_volume [876.6384]
_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  0.0000  0.4291  0.2500  1
  Te  Te1  8  0.0803  0.3361  0.9749  1
  Te  Te2  8  0.2447  0.4183  0.4375  1
  Te  Te3  4  0.0000  0.1344  0.2500  1
  Pd  Pd4  4  0.0000  0.0000  0.0000  1
]