data_[Zr8Nb8Te24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Nb  1.6000  1.4500  0.8200
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.2919]
_cell_length_b [11.4647]
_cell_length_c [6.7731]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.6245]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [ZrNbTe3]
_chemical_formula_sum '[Zr8 Nb8 Te24]'
_cell_volume [1102.3756]
_cell_formula_units_Z [8]
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
[
  Zr  Zr0  8  0.2297  0.4258  0.8153  1
  Nb  Nb1  4  0.0000  0.0452  0.7500  1
  Nb  Nb2  4  0.0000  0.2117  0.2500  1
  Te  Te3  8  0.0982  0.4164  0.4557  1
  Te  Te4  8  0.1239  0.2317  0.9578  1
  Te  Te5  8  0.1362  0.0916  0.4865  1
]