data_[K4Li2Cu4I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Li  0.9800  1.4500  0.9000
  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 [14.7799]
_cell_length_b [7.6992]
_cell_length_c [8.8122]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.8304]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Li(CuI3)2]
_chemical_formula_sum '[K4 Li2 Cu4 I12]'
_cell_volume [861.0594]
_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  0.2225  0.5000  0.2104  1.0
  Li  Li1  2  0.0000  0.5000  0.5000  1.0
  Cu  Cu2  4  0.0543  0.0000  0.2577  1.0
  I  I3  8  0.0619  0.2592  0.7934  1.0
  I  I4  4  0.2466  0.0000  0.3665  1.0
]