data_[Nb4Ni4Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Ni  1.9100  1.3500  0.7400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.5990]
_cell_length_b [6.3121]
_cell_length_c [7.9949]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.1960]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [NbNiTe2]
_chemical_formula_sum '[Nb4 Ni4 Te8]'
_cell_volume [385.9688]
_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  0.4870  0.0123  0.6963  1.0
  Ni  Ni1  4  0.3869  0.6444  0.4439  1.0
  Te  Te2  4  0.1956  0.7476  0.5991  1.0
  Te  Te3  4  0.2851  0.2493  0.8734  1.0
]