data_[Ba8Pt2I10]
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 [21.2881]
_cell_length_b [4.9475]
_cell_length_c [9.8454]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.7689]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba4PtI5]
_chemical_formula_sum '[Ba8 Pt2 I10]'
_cell_volume [997.9266]
_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  0.0019  0.0000  0.2327  1.0
  Ba  Ba1  4  0.1524  0.5000  0.0909  1.0
  Pt  Pt2  2  0.0000  0.5000  0.0000  1.0
  I  I3  4  0.1698  0.0000  0.3414  1.0
  I  I4  4  0.1703  0.0000  0.8485  1.0
  I  I5  2  0.0000  0.5000  0.5000  1.0
]