data_[Ni5Te6]
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 [P31m]
_cell_length_a [6.5394]
_cell_length_b [6.5394]
_cell_length_c [18.5915]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [Ni5Te6]
_chemical_formula_sum '[Ni5 Te6]'
_cell_volume [688.5165]
_cell_formula_units_Z [1]
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  3  0.0000  0.2899  0.5202  1
  Ni  Ni1  2  0.3333  0.6667  0.4555  1
  Te  Te2  3  0.0000  0.7067  0.4154  1
  Te  Te3  2  0.3333  0.6667  0.5868  1
  Te  Te4  1  0.0000  0.0000  0.6086  1
]