data_[K4Sr2Cu2Cl12]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.2749]
_cell_length_b [7.7467]
_cell_length_c [12.2589]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.1769]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K2SrCuCl6]
_chemical_formula_sum '[K4 Sr2 Cu2 Cl12]'
_cell_volume [564.7006]
_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  0.2744  0.5712  0.7527  1.0
  Sr  Sr1  2  0.5000  0.0000  0.0000  1.0
  Cu  Cu2  2  0.0000  0.0000  0.5000  1.0
  Cl  Cl3  4  0.1236  0.5296  0.2193  1.0
  Cl  Cl4  4  0.2515  0.2046  0.0595  1.0
  Cl  Cl5  4  0.3123  0.6804  0.0391  1.0
]