data_[Y6Pt1I10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  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 [7.7451]
_cell_length_b [9.7466]
_cell_length_c [9.7885]
_cell_angle_alpha [106.9999]
_cell_angle_beta [96.6697]
_cell_angle_gamma [104.2548]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Y6PtI10]
_chemical_formula_sum '[Y6 Pt1 I10]'
_cell_volume [670.6148]
_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
[
  Y  Y0  2  0.0329  0.7141  0.9143  1.0
  Y  Y1  2  0.1165  0.0420  0.7583  1.0
  Y  Y2  2  0.3464  0.1240  0.1649  1.0
  Pt  Pt3  1  0.0000  0.0000  0.0000  1.0
  I  I4  2  0.0867  0.3737  0.8203  1.0
  I  I5  2  0.2280  0.7445  0.6547  1.0
  I  I6  2  0.2556  0.0861  0.4618  1.0
  I  I7  2  0.3469  0.4497  0.2724  1.0
  I  I8  2  0.4548  0.8154  0.0928  1.0
]