data_[K8Mn4Cu4Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Mn  1.5500  1.4000  0.6483
  Cu  1.9000  1.3500  0.8200
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9493]
_cell_length_b [18.4070]
_cell_length_c [12.8060]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [K2MnCuCl5]
_chemical_formula_sum '[K8 Mn4 Cu4 Cl20]'
_cell_volume [930.9245]
_cell_formula_units_Z [4]
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  0.0000  0.1178  0.6933  1.0
  K  K1  4  0.0000  0.1263  0.3158  1.0
  Mn  Mn2  4  0.0000  0.2086  0.0184  1.0
  Cu  Cu3  4  0.0000  0.4419  0.4396  1.0
  Cl  Cl4  4  0.0000  0.0702  0.0322  1.0
  Cl  Cl5  4  0.0000  0.2904  0.6513  1.0
  Cl  Cl6  4  0.0000  0.3015  0.3818  1.0
  Cl  Cl7  4  0.0000  0.3416  0.0076  1.0
  Cl  Cl8  4  0.0000  0.4973  0.2840  1.0
]