data_[Nb4Co4Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Co  1.8800  1.3500  0.7683
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.4283]
_cell_length_b [6.3717]
_cell_length_c [7.8115]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.1878]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [NbCoTe2]
_chemical_formula_sum '[Nb4 Co4 Te8]'
_cell_volume [376.4400]
_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  0.4888  0.5135  0.1970  1.0
  Co  Co1  4  0.3896  0.1454  0.9423  1.0
  Te  Te2  4  0.1905  0.2495  0.0953  1.0
  Te  Te3  4  0.2794  0.7426  0.3704  1.0
]