data_[K4Mg6F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Mg  1.3100  1.5000  0.8600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.5480]
_cell_length_b [6.2854]
_cell_length_c [5.3554]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2372]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Mg3F8]
_chemical_formula_sum '[K4 Mg6 F16]'
_cell_volume [398.7938]
_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  4  0.2240  0.5000  0.6720  1
  Mg  Mg1  4  0.0000  0.2607  0.0000  1
  Mg  Mg2  2  0.0000  0.0000  0.5000  1
  F  F3  8  0.0897  0.2172  0.3817  1
  F  F4  4  0.0872  0.0000  0.8998  1
  F  F5  4  0.0989  0.5000  0.9672  1
]