data_[K4Mn4F12]
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 [Pnma]
_cell_length_a [6.0223]
_cell_length_b [8.4973]
_cell_length_c [6.0116]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [KMnF3]
_chemical_formula_sum '[K4 Mn4 F12]'
_cell_volume [307.6339]
_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  0.0108  0.2500  0.9929  1.0
  Mn  Mn1  4  0.0000  0.0000  0.5000  1.0
  F  F2  8  0.2479  0.5251  0.2475  1.0
  F  F3  4  0.0056  0.7500  0.5453  1.0
]