data_[Mn4Cr4Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [10.1101]
_cell_length_b [7.4796]
_cell_length_c [9.0011]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.7261]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [MnCrCl5]
_chemical_formula_sum '[Mn4 Cr4 Cl20]'
_cell_volume [618.2601]
_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
[
  Mn  Mn0  4  0.0000  0.4854  0.2500  1
  Cr  Cr1  4  0.0000  0.0000  0.0000  1
  Cl  Cl2  8  0.0609  0.2946  0.9679  1
  Cl  Cl3  8  0.2450  0.0811  0.6459  1
  Cl  Cl4  4  0.0000  0.1095  0.2500  1
]