data_[K4Mn4Cr4Cl20]
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
  Cr  1.6600  1.4000  0.9400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.9731]
_cell_length_b [11.6692]
_cell_length_c [8.8619]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5007]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KMnCrCl5]
_chemical_formula_sum '[K4 Mn4 Cr4 Cl20]'
_cell_volume [879.9699]
_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  0.3600  0.7500  1.0
  Mn  Mn1  4  0.0000  0.3004  0.2500  1.0
  Cr  Cr2  4  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  8  0.1247  0.1778  0.1105  1.0
  Cl  Cl4  8  0.1706  0.4145  0.4454  1.0
  Cl  Cl5  4  0.0000  0.0760  0.7500  1.0
]