data_[Nb2Te2Pd2I2]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [16.4810]
_cell_length_b [4.2091]
_cell_length_c [3.4071]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.6968]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [NbTePdI]
_chemical_formula_sum '[Nb2 Te2 Pd2 I2]'
_cell_volume [232.2443]
_cell_formula_units_Z [2]
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  2  0.0143  0.5000  0.9092  1
  Te  Te1  2  0.1627  0.5000  0.6341  1
  Pd  Pd2  2  0.0669  0.0000  0.3663  1
  I  I3  2  0.3764  0.0000  0.2984  1
]