data_[Ba10Pt2I10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Pt  2.2800  1.3500  0.8050
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.4400]
_cell_length_b [6.9529]
_cell_length_c [9.9617]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9059]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba5PtI5]
_chemical_formula_sum '[Ba10 Pt2 I10]'
_cell_volume [1077.2515]
_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
[
  Ba  Ba0  4  0.1368  0.0000  0.8518  1
  Ba  Ba1  4  0.1434  0.0000  0.2965  1
  Ba  Ba2  2  0.0000  0.5000  0.0000  1
  Pt  Pt3  2  0.0000  0.0000  0.0000  1
  I  I4  4  0.1758  0.5000  0.8376  1
  I  I5  4  0.1971  0.5000  0.3312  1
  I  I6  2  0.0000  0.0000  0.5000  1
]