data_[Rb4Ba4Mn4Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ba  0.8900  2.1500  1.4900
  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 [9.4673]
_cell_length_b [12.8772]
_cell_length_c [10.7378]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.4993]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [RbBaMnCl5]
_chemical_formula_sum '[Rb4 Ba4 Mn4 Cl20]'
_cell_volume [1217.9809]
_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
[
  Rb  Rb0  4  0.0000  0.3508  0.7500  1.0
  Ba  Ba1  4  0.0000  0.0000  0.0000  1.0
  Mn  Mn2  4  0.0000  0.3179  0.2500  1.0
  Cl  Cl3  8  0.1250  0.2100  0.1440  1.0
  Cl  Cl4  8  0.1584  0.4307  0.4184  1.0
  Cl  Cl5  4  0.0000  0.1029  0.7500  1.0
]