data_[K4Sr2Cu4I12]
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 [C2/m]
_cell_length_a [13.6146]
_cell_length_b [8.5823]
_cell_length_c [9.2405]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.9605]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Sr(CuI3)2]
_chemical_formula_sum '[K4 Sr2 Cu4 I12]'
_cell_volume [970.7536]
_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  4  0.2113  0.5000  0.1639  1.0
  Sr  Sr1  2  0.0000  0.5000  0.5000  1.0
  Cu  Cu2  4  0.0406  0.0000  0.2691  1.0
  I  I3  8  0.0658  0.2539  0.8075  1.0
  I  I4  4  0.2454  0.0000  0.4366  1.0
]