data_[Ni8Bi32Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Bi  2.0200  1.6000  1.0350
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [11.1462]
_cell_length_b [11.1462]
_cell_length_c [9.9349]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [Ni2Bi8Te]
_chemical_formula_sum '[Ni8 Bi32 Te4]'
_cell_volume [1234.2923]
_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
[
  Ni  Ni0  8  0.1915  0.1915  0.2332  1
  Bi  Bi1  16  0.0543  0.7135  0.2104  1
  Bi  Bi2  4  0.0000  0.0000  0.3362  1
  Bi  Bi3  4  0.1021  0.1021  0.0000  1
  Bi  Bi4  4  0.1971  0.8029  0.5000  1
  Bi  Bi5  4  0.1986  0.1986  0.5000  1
  Te  Te6  4  0.0000  0.5000  0.0000  1
]