data_[Te2Pt18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [2.8714]
_cell_length_b [2.8714]
_cell_length_c [48.6733]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [129]
_chemical_formula_structural [TePt9]
_chemical_formula_sum '[Te2 Pt18]'
_cell_volume [401.3194]
_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
[
  Te  Te0  2  0.0000  0.5000  0.1199  1
  Pt  Pt1  2  0.0000  0.5000  0.2042  1
  Pt  Pt2  2  0.0000  0.5000  0.2827  1
  Pt  Pt3  2  0.0000  0.5000  0.3614  1
  Pt  Pt4  2  0.0000  0.5000  0.4406  1
  Pt  Pt5  2  0.0000  0.5000  0.5198  1
  Pt  Pt6  2  0.0000  0.5000  0.5990  1
  Pt  Pt7  2  0.0000  0.5000  0.6781  1
  Pt  Pt8  2  0.0000  0.5000  0.7564  1
  Pt  Pt9  2  0.0000  0.5000  0.8364  1
]