data_[Cs4Mg4Mn4Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Mg  1.3100  1.5000  0.8600
  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 [9.0541]
_cell_length_b [12.1511]
_cell_length_c [9.3836]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.7485]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsMgMnCl5]
_chemical_formula_sum '[Cs4 Mg4 Mn4 Cl20]'
_cell_volume [958.8778]
_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
[
  Cs  Cs0  4  0.0000  0.3419  0.2500  1.0
  Mg  Mg1  4  0.0000  0.0000  0.0000  1.0
  Mn  Mn2  4  0.0000  0.3063  0.7500  1.0
  Cl  Cl3  8  0.0965  0.1924  0.5979  1.0
  Cl  Cl4  8  0.1980  0.4202  0.9247  1.0
  Cl  Cl5  4  0.0000  0.0578  0.2500  1.0
]