data_[Nb4Sb2Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [22.4118]
_cell_length_b [3.5775]
_cell_length_c [19.4247]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nb2SbTe6]
_chemical_formula_sum '[Nb4 Sb2 Te12]'
_cell_volume [1557.4288]
_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  4  0.1542  0.0000  0.5242  1
  Sb  Sb1  2  0.0000  0.5000  0.5000  1
  Te  Te2  4  0.0946  0.5000  0.6139  1
  Te  Te3  4  0.1167  0.5000  0.4190  1
  Te  Te4  4  0.2439  0.5000  0.5742  1
]