data_[Ni8Sb4Te2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.6814]
_cell_length_b [4.6814]
_cell_length_c [13.1997]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Ni4Sb2Te]
_chemical_formula_sum '[Ni8 Sb4 Te2]'
_cell_volume [289.2775]
_cell_formula_units_Z [2]
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  0.0000  0.0000  0.1835  1
  Ni  Ni1  4  0.0000  0.5000  0.0000  1
  Sb  Sb2  4  0.0000  0.0000  0.3675  1
  Te  Te3  2  0.0000  0.0000  0.0000  1
]