data_[Sr24P3Pt9I9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  P  2.1900  1.0000  0.5500
  Pt  2.2800  1.3500  0.8050
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.9574]
_cell_length_b [8.9574]
_cell_length_c [24.2624]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Sr8P(PtI)3]
_chemical_formula_sum '[Sr24 P3 Pt9 I9]'
_cell_volume [1685.8730]
_cell_formula_units_Z [3]
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
[
  Sr  Sr0  18  0.0020  0.5010  0.7684  1.0
  Sr  Sr1  6  0.0000  0.0000  0.2336  1.0
  P  P2  3  -0.0000  -0.0000  0.5000  1.0
  Pt  Pt3  9  0.0000  0.5000  0.5000  1.0
  I  I4  9  0.0000  0.5000  0.0000  1.0
]