data_[K4Mn4Cl16]
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 [C2/c]
_cell_length_a [8.0448]
_cell_length_b [15.8109]
_cell_length_c [6.6002]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.7768]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KMnCl4]
_chemical_formula_sum '[K4 Mn4 Cl16]'
_cell_volume [774.0501]
_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  0.3309  0.2500  1
  Mn  Mn1  4  0.0000  0.0587  0.2500  1
  Cl  Cl2  8  0.1773  0.0456  0.6877  1
  Cl  Cl3  8  0.2017  0.1590  0.2464  1
]