data_[K4Ba4Mn4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ba  0.8900  2.1500  1.4900
  Mn  1.5500  1.4000  0.6483
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.9054]
_cell_length_b [13.1878]
_cell_length_c [11.2124]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.9811]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KBaMnBr5]
_chemical_formula_sum '[K4 Ba4 Mn4 Br20]'
_cell_volume [1358.2229]
_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  0.3552  0.7500  1.0
  Ba  Ba1  4  0.0000  0.0000  0.0000  1.0
  Mn  Mn2  4  0.0000  0.3198  0.2500  1.0
  Br  Br3  8  0.1383  0.2092  0.1531  1.0
  Br  Br4  8  0.1547  0.4363  0.4262  1.0
  Br  Br5  4  0.0000  0.1104  0.7500  1.0
]