data_[Ni8Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P4/m]
_cell_length_a [10.3666]
_cell_length_b [10.3666]
_cell_length_c [3.8967]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [83]
_chemical_formula_structural [NiTe]
_chemical_formula_sum '[Ni8 Te8]'
_cell_volume [418.7589]
_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
[
  Ni  Ni0  4  0.1209  0.4607  0.0000  1.0
  Ni  Ni1  4  0.1915  0.6180  0.5000  1.0
  Te  Te2  4  0.0631  0.6978  0.0000  1.0
  Te  Te3  4  0.2459  0.3836  0.5000  1.0
]