data_[Te2Pt1I6]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.3160]
_cell_length_b [7.8688]
_cell_length_c [11.0968]
_cell_angle_alpha [105.8657]
_cell_angle_beta [90.6024]
_cell_angle_gamma [97.2072]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Te2PtI6]
_chemical_formula_sum '[Te2 Pt1 I6]'
_cell_volume [442.4868]
_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
[
  Te  Te0  2  0.3105  0.6929  0.6825  1.0
  Pt  Pt1  1  0.0000  0.5000  0.5000  1.0
  I  I2  2  0.0736  0.0018  0.7272  1.0
  I  I3  2  0.1908  0.6098  0.9050  1.0
  I  I4  2  0.3430  0.6494  0.3782  1.0
]