data_[Ni8Bi4Te4]
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 [Pbcm]
_cell_length_a [8.1994]
_cell_length_b [7.0938]
_cell_length_c [5.2707]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [57]
_chemical_formula_structural [Ni2BiTe]
_chemical_formula_sum '[Ni8 Bi4 Te4]'
_cell_volume [306.5725]
_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  4  0.1447  0.2500  0.0000  1
  Ni  Ni1  4  0.3922  0.7500  0.0000  1
  Bi  Bi2  4  0.1218  0.5905  0.7500  1
  Te  Te3  4  0.3735  0.0752  0.7500  1
]