data_[K4Mn12Cl36]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [20.4080]
_cell_length_b [8.5746]
_cell_length_c [13.8245]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.1356]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [K(MnCl3)3]
_chemical_formula_sum '[K4 Mn12 Cl36]'
_cell_volume [1902.7920]
_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  0.2405  0.2836  0.4972  1
  Mn  Mn1  4  0.1078  0.9270  0.1761  1
  Mn  Mn2  4  0.4018  0.6210  0.8443  1
  Mn  Mn3  4  0.4876  0.0766  0.2190  1
  Cl  Cl4  4  0.0363  0.3132  0.6217  1
  Cl  Cl5  4  0.0408  0.1129  0.0184  1
  Cl  Cl6  4  0.1035  0.0345  0.3172  1
  Cl  Cl7  4  0.1075  0.4371  0.9050  1
  Cl  Cl8  4  0.2150  0.8577  0.1840  1
  Cl  Cl9  4  0.2810  0.3729  0.3110  1
  Cl  Cl10  4  0.3940  0.0644  0.5577  1
  Cl  Cl11  4  0.3988  0.4069  0.7521  1
  Cl  Cl12  4  0.4031  0.1282  0.2743  1
]