data_[Sr24Pb8I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Pb  2.3300  1.8000  1.1225
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [I4_132]
_cell_length_a [13.5448]
_cell_length_b [13.5448]
_cell_length_c [13.5448]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [214]
_chemical_formula_structural [Sr3PbI3]
_chemical_formula_sum '[Sr24 Pb8 I24]'
_cell_volume [2484.9665]
_cell_formula_units_Z [8]
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  24  0.1230  0.3730  0.1250  1
  Pb  Pb1  8  0.1250  0.1250  0.1250  1
  I  I2  24  0.1227  0.1273  0.6250  1
]