data_[K4Mn4F16]
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/c]
_cell_length_a [12.5621]
_cell_length_b [5.2502]
_cell_length_c [5.8350]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.8973]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KMnF4]
_chemical_formula_sum '[K4 Mn4 F16]'
_cell_volume [370.1191]
_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  0.0000  0.2810  0.7500  1.0
  Mn  Mn1  4  0.2500  0.2500  0.5000  1.0
  F  F2  8  0.1041  0.1420  0.4229  1.0
  F  F3  8  0.2050  0.4740  0.1691  1.0
]