data_[Ni18Te2]
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 [P4/nmm]
_cell_length_a [2.7238]
_cell_length_b [2.7238]
_cell_length_c [41.8304]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [129]
_chemical_formula_structural [Ni9Te]
_chemical_formula_sum '[Ni18 Te2]'
_cell_volume [310.3451]
_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  2  0.0000  0.5000  0.2304  1
  Ni  Ni1  2  0.0000  0.5000  0.3017  1
  Ni  Ni2  2  0.0000  0.5000  0.3738  1
  Ni  Ni3  2  0.0000  0.5000  0.4458  1
  Ni  Ni4  2  0.0000  0.5000  0.5180  1
  Ni  Ni5  2  0.0000  0.5000  0.5902  1
  Ni  Ni6  2  0.0000  0.5000  0.6623  1
  Ni  Ni7  2  0.0000  0.5000  0.7344  1
  Ni  Ni8  2  0.0000  0.5000  0.8074  1
  Te  Te9  2  0.0000  0.5000  0.1471  1
]