data_[In2Te6Pt4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Te  2.1000  1.4000  1.2933
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [8.0736]
_cell_length_b [8.0736]
_cell_length_c [5.4876]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [InTe3Pt2]
_chemical_formula_sum '[In2 Te6 Pt4]'
_cell_volume [309.7744]
_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
[
  In  In0  2  0.3333  0.6667  0.7020  1
  Te  Te1  6  0.1703  0.3405  0.2454  1
  Pt  Pt2  3  0.0000  0.5000  0.0000  1
  Pt  Pt3  1  0.0000  0.0000  0.0000  1
]