data_[K4Sr2Cu4Cl12]
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 [C2/m]
_cell_length_a [12.7753]
_cell_length_b [7.5339]
_cell_length_c [7.7449]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.9119]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Sr(CuCl3)2]
_chemical_formula_sum '[K4 Sr2 Cu4 Cl12]'
_cell_volume [646.1421]
_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  0.2282  0.5000  0.1889  1.0
  Sr  Sr1  2  0.0000  0.5000  0.5000  1.0
  Cu  Cu2  4  0.0445  0.0000  0.2103  1.0
  Cl  Cl3  8  0.0654  0.2471  0.8201  1.0
  Cl  Cl4  4  0.2474  0.0000  0.3846  1.0
]