data_[K4Na2Mg2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Na  0.9300  1.8000  1.1600
  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 [10.3791]
_cell_length_b [5.9991]
_cell_length_c [6.0119]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.4053]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2NaMgF6]
_chemical_formula_sum '[K4 Na2 Mg2 F12]'
_cell_volume [305.1136]
_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  0.2500  0.5000  0.7500  1.0
  Na  Na1  2  0.0000  0.0000  0.5000  1.0
  Mg  Mg2  2  0.0000  0.5000  0.0000  1.0
  F  F3  8  0.0067  0.2644  0.2421  1.0
  F  F4  4  0.2352  0.5000  0.2218  1.0
]