data_[Sr4Zn8I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Zn  1.6500  1.3500  0.8800
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.2593]
_cell_length_b [14.2504]
_cell_length_c [7.6762]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.7203]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sr(ZnI3)2]
_chemical_formula_sum '[Sr4 Zn8 I24]'
_cell_volume [1628.3440]
_cell_formula_units_Z [4]
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  4  0.0000  0.2522  0.2500  1
  Zn  Zn1  8  0.2117  0.4096  0.6430  1
  I  I2  8  0.1166  0.0796  0.1745  1
  I  I3  8  0.1256  0.2698  0.7039  1
  I  I4  8  0.1485  0.4287  0.2638  1
]