data_[Te4Pt2I2]
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 [P2_1/m]
_cell_length_a [4.0715]
_cell_length_b [9.8006]
_cell_length_c [5.9778]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.6362]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Te2PtI]
_chemical_formula_sum '[Te4 Pt2 I2]'
_cell_volume [238.4364]
_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  4  0.4889  0.0747  0.7956  1.0
  Pt  Pt1  2  0.0095  0.7500  0.1566  1.0
  I  I2  2  0.0046  0.2500  0.3266  1.0
]