data_[Nb4Ge4Te16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Ge  2.0100  1.2500  0.7700
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.8183]
_cell_length_b [17.5843]
_cell_length_c [10.9993]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [NbGeTe4]
_chemical_formula_sum '[Nb4 Ge4 Te16]'
_cell_volume [738.5157]
_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  0.3475  0.7223  1.0
  Ge  Ge1  4  0.0000  0.2404  0.5357  1.0
  Te  Te2  4  0.0000  0.0392  0.2886  1.0
  Te  Te3  4  0.0000  0.1187  0.0352  1.0
  Te  Te4  4  0.0000  0.2728  0.2923  1.0
  Te  Te5  4  0.0000  0.3708  0.9938  1.0
]