data_[K2Sr2Cu2I8]
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
  Cu  1.9000  1.3500  0.8200
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.4721]
_cell_length_b [8.1363]
_cell_length_c [9.6638]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1468]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KSrCuI4]
_chemical_formula_sum '[K2 Sr2 Cu2 I8]'
_cell_volume [558.2966]
_cell_formula_units_Z [2]
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  2  0.2345  0.2500  0.0538  1.0
  Sr  Sr1  2  0.2305  0.2500  0.5582  1.0
  Cu  Cu2  2  0.2286  0.7500  0.3213  1.0
  I  I3  4  0.0069  0.5043  0.7277  1.0
  I  I4  2  0.4193  0.7500  0.1353  1.0
  I  I5  2  0.4378  0.7500  0.5944  1.0
]