data_[K1Sr1I3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sr  0.9500  2.0000  1.3200
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.4874]
_cell_length_b [6.5055]
_cell_length_c [6.5186]
_cell_angle_alpha [92.3201]
_cell_angle_beta [91.6304]
_cell_angle_gamma [91.5497]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [KSrI3]
_chemical_formula_sum '[K1 Sr1 I3]'
_cell_volume [274.6656]
_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
[
  K  K0  1  0.0377  0.8394  0.0516  1.0
  Sr  Sr1  1  0.4941  0.5377  0.4943  1.0
  I  I2  1  0.4548  0.0412  0.4425  1.0
  I  I3  1  0.5192  0.5655  0.9940  1.0
  I  I4  1  0.9941  0.5762  0.5277  1.0
]