data_[Sr4Ag4I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ag  1.9300  1.6000  1.0867
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.8447]
_cell_length_b [8.4888]
_cell_length_c [13.5713]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.9285]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [SrAgI3]
_chemical_formula_sum '[Sr4 Ag4 I12]'
_cell_volume [790.9701]
_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  0.3354  0.1196  0.7846  1.0
  Ag  Ag1  4  0.3297  0.6076  0.9155  1.0
  I  I2  4  0.0641  0.0577  0.2291  1.0
  I  I3  4  0.2610  0.6653  0.0971  1.0
  I  I4  4  0.3783  0.1801  0.0585  1.0
]