data_[K2Mn4F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Mn  1.5500  1.4000  0.6483
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.4889]
_cell_length_b [4.1997]
_cell_length_c [7.9046]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.3962]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KMn2F6]
_chemical_formula_sum '[K2 Mn4 F12]'
_cell_volume [309.1485]
_cell_formula_units_Z [2]
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  0.0000  0.0000  0.5000  1.0
  Mn  Mn1  4  0.1724  0.0000  0.0914  1.0
  F  F2  4  0.0074  0.0000  0.1602  1.0
  F  F3  4  0.1771  0.5000  0.6558  1.0
  F  F4  4  0.2008  0.5000  0.0540  1.0
]