data_[Nb1Tl1Fe1Te1Pd1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Tl  1.6200  1.9000  1.3325
  Fe  1.8300  1.4000  0.8525
  Te  2.1000  1.4000  1.2933
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.1493]
_cell_length_b [4.5818]
_cell_length_c [6.9879]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [NbTlFeTePd]
_chemical_formula_sum '[Nb1 Tl1 Fe1 Te1 Pd1]'
_cell_volume [100.8306]
_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
[
  Nb  Nb0  1  0.0000  0.5000  0.8676  1
  Tl  Tl1  1  0.0000  0.0000  0.5858  1
  Fe  Fe2  1  0.5000  0.5000  0.5918  1
  Te  Te3  1  0.5000  0.5000  0.2104  1
  Pd  Pd4  1  0.5000  0.0000  0.9815  1
]