data_[K1Ba2Mn1Cl8]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.0012]
_cell_length_b [7.0658]
_cell_length_c [8.9046]
_cell_angle_alpha [88.8325]
_cell_angle_beta [73.2314]
_cell_angle_gamma [85.3831]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KBa2MnCl8]
_chemical_formula_sum '[K1 Ba2 Mn1 Cl8]'
_cell_volume [360.3535]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1.0
  Ba  Ba1  2  0.3272  0.4712  0.7863  1.0
  Mn  Mn2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  2  0.1454  0.2234  0.1206  1.0
  Cl  Cl4  2  0.2126  0.7010  0.1187  1.0
  Cl  Cl5  2  0.2904  0.3522  0.4689  1.0
  Cl  Cl6  2  0.3115  0.0064  0.7804  1.0
]