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 [P2_1/m]
_cell_length_a [5.9913]
_cell_length_b [8.4874]
_cell_length_c [6.0069]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1628]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KMnF3]
_chemical_formula_sum '[K4 Mn4 F12]'
_cell_volume [305.4529]
_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  2  0.0118  0.2500  0.4970  1.0
  K  K1  2  0.4873  0.7500  0.9996  1.0
  Mn  Mn2  2  0.0000  0.0000  0.0000  1.0
  Mn  Mn3  2  0.5000  0.0000  0.5000  1.0
  F  F4  4  0.2271  0.5176  0.7271  1.0
  F  F5  4  0.2726  0.0261  0.2274  1.0
  F  F6  2  0.0138  0.7500  0.0424  1.0
  F  F7  2  0.4961  0.7500  0.4573  1.0
]