data_[K2Ba1Mn1F8]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.5491]
_cell_length_b [7.8024]
_cell_length_c [6.0044]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.1340]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [K2BaMnF8]
_chemical_formula_sum '[K2 Ba1 Mn1 F8]'
_cell_volume [211.8963]
_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  2  0.5000  0.2335  0.5000  1.0
  Ba  Ba1  1  0.0000  0.5000  0.0000  1.0
  Mn  Mn2  1  0.0000  0.0000  0.0000  1.0
  F  F3  4  0.1105  0.1753  0.8145  1.0
  F  F4  2  0.3492  0.0000  0.1804  1.0
  F  F5  2  0.4838  0.5000  0.7563  1.0
]