data_[Zr8Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [5.9992]
_cell_length_b [8.1905]
_cell_length_c [9.2329]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [ZrTe]
_chemical_formula_sum '[Zr8 Te8]'
_cell_volume [453.6701]
_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  4  0.0029  0.3313  0.8856  1
  Zr  Zr1  4  0.2370  0.4979  0.6280  1
  Te  Te2  4  0.0114  0.1459  0.1462  1
  Te  Te3  4  0.0158  0.6814  0.8960  1
]