data_[Nb4Sn4Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Sn  1.9600  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.7088]
_cell_length_b [4.6413]
_cell_length_c [5.6933]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2159]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NbSnTe]
_chemical_formula_sum '[Nb4 Sn4 Te4]'
_cell_volume [326.9254]
_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  0.2095  0.0000  0.8702  1
  Sn  Sn1  4  0.1779  0.0000  0.3573  1
  Te  Te2  4  0.0761  0.5000  0.8307  1
]