data_[Ni6Te6]
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 [Imm2]
_cell_length_a [3.8076]
_cell_length_b [11.3871]
_cell_length_c [5.5477]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [NiTe]
_chemical_formula_sum '[Ni6 Te6]'
_cell_volume [240.5388]
_cell_formula_units_Z [6]
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  0.3289  0.2239  1.0
  Ni  Ni1  2  0.0000  0.5000  0.9354  1.0
  Te  Te2  4  0.0000  0.3185  0.6924  1.0
  Te  Te3  2  0.0000  0.0000  0.7339  1.0
]