data_[Nb2Si1Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Si  1.9000  1.1000  0.5400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.5660]
_cell_length_b [6.8951]
_cell_length_c [8.2849]
_cell_angle_alpha [74.0114]
_cell_angle_beta [86.8836]
_cell_angle_gamma [89.9624]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Nb2SiTe4]
_chemical_formula_sum '[Nb2 Si1 Te4]'
_cell_volume [195.5157]
_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  2  0.5000  0.7106  0.0004  1.0
  Si  Si1  1  0.0000  0.0000  0.0000  1.0
  Te  Te2  2  0.0298  0.5739  0.7783  1.0
  Te  Te3  2  0.4668  0.9103  0.2723  1.0
]